SCHEMBL19725183

SCHEMBL19725183

CCc1ncc(C(=O)NCC(=O)O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 11/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ SLC22A8 Q8TCC7 1/20 0.40
▸ VEGFA P15692 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ EGLN3 Q9H6Z9 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ AGBL2 Q5U5Z8 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL19705743 0.86 KDM4E (0.43) EGLN1KDM4EALDH1A1MAPK1CA1
SCHEMBL19705733 0.82 EGLN1 (0.43) EGLN1KDM4EMAPTHIF1ASLC22A6
SCHEMBL19738292 0.82 EGLN1 (0.40) EGLN1KDM4EMAPTHIF1ASLC22A6
SCHEMBL3374192 0.80 RAB9A (0.44) KDM4EMAPTALDH1A1AGBL2MAPK1
SCHEMBL19698929 0.79 EGLN1 (0.43) EGLN1KDM4EMAPTHIF1ASLC22A6
SCHEMBL21783356 0.79 ATM (0.40) EGLN1KDM4EMAPTHIF1ASLC22A6
SCHEMBL19705941 0.79 GPBAR1 (0.43) KDM4EMAPTATM
SCHEMBL14910728 0.76 MAPK1 (0.44) KDM4EMAPTHIF1AATMALDH1A1
SCHEMBL19725193 0.72 USP5 (0.39) EGLN1KDM4EMAPTHIF1ASLC22A6
SCHEMBL16560318 0.72 KDM4E (0.50) EGLN1KDM4EMAPTHIF1ASLC22A6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-11-19 — — US disclosed
US-10774054-B2 FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2020-09-15 — — US disclosed
US-20200071282-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2020-03-05 — — US disclosed
US-20190308962-A1 FXR (NR1H4) Modulating Compounds GILEAD SCIENCES, INC. (US) 2019-10-10 — — US disclosed
WO-2017218330-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-12-21 — — WO disclosed
EP-3257847-A1 FXR (NR1H4) MODULATING COMPOUNDS Gilead Sciences, Inc. (US) 2017-12-20 — — EP 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 (4 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-20190308962-A1 FXR (NR1H4) Modulating Compounds NR1H4, NR1H2, NR1H3 EGLN1 4520/4885KDM4E 3688/4885MAPT 3650/4885
US-20200071282-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 EGLN1 4450/4885KDM4E 3516/4885MAPT 3594/4885
US-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, SLC10A2 EGLN1 3272/4885KDM4E 3975/4885MAPT 3921/4885
US-10774054-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 EGLN1 4450/4885KDM4E 3516/4885MAPT 3594/4885

“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.

Send feedback