SCHEMBL10189337

SCHEMBL10189337

COc1ccc(-c2cnsc2-c2cc(C)c(C)c(OC)c2)cc1NC(=O)[C@H](N)CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CIT O14578 2/20 0.39
AAK1 Q2M2I8 10/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRKCZ Q05513 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASR P41180 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL10189342 1.00 CIT (0.39) CITAAK1KDM4EALDH1A1HPGD
SCHEMBL10189328 0.94 CIT (0.38) CITAAK1ALDH1A1CASR
SCHEMBL10189330 0.94 CIT (0.38) CITAAK1ALDH1A1CASR
SCHEMBL10189335 0.92 CIT (0.36) CITAAK1KDM4EALDH1A1HPGD
SCHEMBL10189338 0.92 CIT (0.36) CITAAK1KDM4EALDH1A1HPGD
SCHEMBL10242323 0.90 CIT (0.40) CITAAK1CYP3A4CYP2C19
SCHEMBL10242378 0.90 CIT (0.40) CITAAK1CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL625522 0.89 CIT (0.40) CITAAK1CYP3A4CYP2C19
SCHEMBL10189296 0.89 PDE4A (0.37) CITAAK1KDM4EALDH1A1HPGD
SCHEMBL10189334 0.89 S1PR1 (0.37) CITAAK1CASRPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 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-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885AAK1 3020/4885KDM4E 2492/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885AAK1 3020/4885KDM4E 2492/4885

“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.