SCHEMBL10189330

SCHEMBL10189330

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CIT O14578 1/20 0.38
CTSA P10619 10/20 0.38
AAK1 Q2M2I8 3/20 0.36
FFAR1 O14842 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CASR P41180 1/20 0.35

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
SCHEMBL10189328 1.00 CIT (0.38) CITCTSAAAK1FFAR1PDCD1
SCHEMBL10189342 0.94 CIT (0.39) CITAAK1ALDH1A1CASR
SCHEMBL10189337 0.94 CIT (0.39) CITAAK1ALDH1A1CASR
SCHEMBL10189336 0.92 S1PR1 (0.37) CITCTSAAAK1CASR
SCHEMBL10189334 0.92 S1PR1 (0.37) CITCTSAAAK1CASR
SCHEMBL10242389 0.90 CIT (0.40) CITCTSAAAK1ALDH1A1CASR
SCHEMBL10240320 0.90 CIT (0.40) CITCTSAAAK1ALDH1A1CASR
SCHEMBL10189296 0.88 PDE4A (0.37) CITAAK1ALDH1A1
SCHEMBL10189335 0.88 CIT (0.36) CITAAK1ALDH1A1
SCHEMBL10189338 0.88 CIT (0.36) CITAAK1ALDH1A1

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 337/4885CTSA 1710/4885AAK1 3020/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885CTSA 1710/4885AAK1 3020/4885

“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.