SCHEMBL3454027

SCHEMBL3454027

CCOC(=O)c1sc(I)nc1C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 1/20 0.55
CDC7 O00311 1/20 0.54
DBF4 Q9UBU7 1/20 0.54
NPC1 O15118 2/20 0.52
KDM4E B2RXH2 6/20 0.51
MAPT P10636 5/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 3/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
DHODH Q02127 1/20 0.49

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
SCHEMBL3332542 0.84 ALDH1A1 (0.66) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL26288487 0.83 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL12034449 0.81 CDC7 (0.69) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL2498385 0.81 NPC1 (0.72) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL27899564 0.80 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL288785 0.80 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL25094937 0.79 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL3454323 0.79 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL5552417 0.79 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL5553648 0.79 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10CDC7DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2023-09-19 US disclosed
US-7834013-B2 Racemic-(trans)-2-[4-({[3-(phenyloxy)phenyl]methyl}ammonium)phenyl]cyclopropanecarboxylic acid; type II diabetes; G protein-coupled receptor 40 (GPR40) agonists GLAXOSMITHKLINE LLC (US) 2010-11-16 US disclosed
WO-2010007482-A2 THIAZOLE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-01-21 WO disclosed
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GLAXOSMITHKLINE LLC 2009-04-23 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 (2 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-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors CDK1, CDKN1A, CDKL1 ALDH1A1 3077/4885HPGD 2967/4885HSD17B10 2529/4885
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GPR65, GPR88, GPR84 ALDH1A1 2055/4885HPGD 1924/4885HSD17B10 757/4885

“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.