Sugi Predict

Sugi Predict / Compounds / SCHEMBL17201182

SCHEMBL17201182

SCHEMBL17201182

COc1c(Br)cc(C(=O)O)c(O)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.56
▸ TPMT P51580 1/20 0.50
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ AKR1C4 P17516 2/20 0.44
▸ AKR1C3 P42330 2/20 0.44
▸ AKR1C2 P52895 2/20 0.44
▸ AKR1C1 Q04828 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.43
▸ PTPN1 P18031 3/20 0.41
▸ PTPN2 P17706 2/20 0.40
▸ PTPN6 P29350 2/20 0.40
▸ HPGD P15428 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17201267 0.85 SOS1 (0.48) HSD17B10TPMTMAPTTDP1HPGD
SCHEMBL17201011 0.80 HSD17B10 (0.56) HSD17B10TPMTLCKFYNAKR1C4
SCHEMBL31056282 0.80 HSD17B10 (0.56) HSD17B10TPMTLCKFYNAKR1C4
SCHEMBL31458369 0.79 HSD17B10 (0.54) HSD17B10TPMTLCKFYNMAPT
SCHEMBL20425514 0.78 HSD17B10 (0.53) HSD17B10TPMTLCKFYNMAPT
SCHEMBL18378622 0.77 AKR1C2 (0.48) HSD17B10LCKFYNAKR1C4AKR1C3
SCHEMBL2970067 0.77 HSD17B10 (0.70) HSD17B10TPMTLCKFYNMAPT
SCHEMBL9279881 0.76 HSD17B10 (0.69) HSD17B10TPMTLCKFYNMAPT
SCHEMBL30810298 0.76 HSD17B10 (0.69) HSD17B10TPMTLCKFYNMAPT
SCHEMBL592060 0.76 HSD17B10 (0.50) HSD17B10TPMTLCKFYNAKR1C3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092052-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2026-04-02 — — US disclosed
US-20240109874-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-04-04 — — US disclosed
US-20220411413-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-12-29 — — US disclosed
US-10899752-B2 2,3-dihydro-4H-1,3-benzoxazin-4-one derivatives as modulators of cholinergic muscarinic M1 receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-01-26 — — US disclosed
US-20210009572-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2021-01-14 — — US disclosed
US-10865200-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-15 — — US disclosed
EP-3313836-B1 2,3-DIHYDRO-4H-1,3-BENZOXAZIN-4-ONE DERIVATIVES AS MODULATORS OF CHOLINERGIC MUSCARINIC M1 RECEPTOR TAKEDA PHARMACEUTICALS CO (JP) 2020-11-11 — — EP disclosed
EP-3134386-B1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2020-05-20 — — EP disclosed
US-10457670-B2 Isoindoline-1-one derivatives as cholinergic muscarinic M1 receptor positive alloesteric modulator activity for the treatment of Alzheimers disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-29 — — US disclosed
US-10428056-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-01 — — US disclosed
US-20170027921-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-02-02 — — US disclosed
WO-2016208775-A1 2,3-DIHYDRO-4H-1,3-BENZOXAZIN-4-ONE DERIVATIVES AS MODULATORS OF CHOLINERGIC MUSCARINIC M1 RECEPTOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-29 — — WO disclosed
US-20160376244-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-29 — — US disclosed
US-9518042-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-13 — — US disclosed
US-9499516-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-22 — — US disclosed
US-20160152598-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-06-02 — — US disclosed
US-20160152603-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-06-02 — — US disclosed
US-9315458-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2016-04-19 — — US disclosed
US-20150307451-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 — — US disclosed
WO-2015163485-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160152598-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 HSD17B10 4368/4885TPMT 257/4885LCK 1827/4885
US-10899752-B2 2,3-dihydro-4H-1,3-benzoxazin-4-one derivatives as modulators of cholinergic muscarinic M1 receptor CHRM1, CHRM4, CHRM2 HSD17B10 3190/4885TPMT 306/4885LCK 3105/4885
US-10865200-B2 Nitrogen-containing heterocyclic compound CHRM1, CHRM5, CHRM2 HSD17B10 4368/4885TPMT 257/4885LCK 1827/4885
US-20160152603-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 HSD17B10 4368/4885TPMT 257/4885LCK 1827/4885
US-20240109874-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 HSD17B10 4368/4885TPMT 257/4885LCK 1827/4885
US-20260092052-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 HSD17B10 4010/4885TPMT 321/4885LCK 1501/4885
US-20220411413-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 HSD17B10 4368/4885TPMT 257/4885LCK 1827/4885
US-20170027921-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 HSD17B10 4368/4885TPMT 257/4885LCK 1827/4885
US-20160376244-A1 HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 HSD17B10 3719/4885TPMT 211/4885LCK 1828/4885
US-20210009572-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRNA5 HSD17B10 4302/4885TPMT 262/4885LCK 1435/4885
US-10428056-B2 Heterocyclic compound CHRM1, CHRM5, CHRM2 HSD17B10 3719/4885TPMT 211/4885LCK 1828/4885
US-10457670-B2 Isoindoline-1-one derivatives as cholinergic muscarinic M1 receptor positive alloesteric modulator activity for the treatment of Alzheimers disease CHRM1, CHRM2, CHRM5 HSD17B10 2710/4885TPMT 199/4885LCK 1618/4885
US-20150307451-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 HSD17B10 4368/4885TPMT 257/4885LCK 1827/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.