SCHEMBL3823399

SCHEMBL3823399

CCOC(=O)c1oc(C)nc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PTGS2 P35354 5/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
ALOX5 P09917 1/20 0.46
PTGS1 P23219 2/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL14709097 0.86 HTT (0.57) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL22886445 0.86 TARBP2 (0.43) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL20028674 0.86 ADORA3 (0.58) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL6004119 0.86 NPC1 (0.52) ALDH1A1NPC1RAB9AMAPTPKM
SCHEMBL20028178 0.84 TRPM8 (0.53) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL29111906 0.83 TSHR (0.49) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL29111790 0.82 TARBP2 (0.59) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL20027764 0.81 JAK2 (0.48) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL4719656 0.81 PTGS2 (0.50) ALDH1A1HPGDMAPTPKMPTGS2
SCHEMBL4761450 0.80 PTGS2 (0.49) ALDH1A1HPGDNPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885KDM4E 3495/4885HPGD 2346/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 ALDH1A1 4421/4885KDM4E 3117/4885HPGD 2414/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885KDM4E 3495/4885HPGD 2346/4885
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 ALDH1A1 775/4885KDM4E 1955/4885HPGD 675/4885

“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.