SCHEMBL10188966

SCHEMBL10188966

COc1cc(-c2sncc2-c2ccc(SC)c(OP(=O)(O)O)c2)cc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
AR P10275 1/20 0.34
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CHEK2 O96017 1/20 0.31
FPR2 P25090 1/20 0.31
FYN P06241 1/20 0.30

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
SCHEMBL618245 0.89 PTGS2 (0.39) PTGS2ARCHEK2FYN
SCHEMBL10189302 0.89 PTGS2 (0.40) PTGS2CHEK2FYN
SCHEMBL10188981 0.85 PTGS2 (0.49) PTGS2CHEK2FYN
SCHEMBL10188963 0.83 FYN (0.38) PTGS2ALDH1A1HPGDFYN
SCHEMBL10188969 0.83 PTGS2 (0.40) PTGS2ARALDH1A1HSD17B10CHEK2
SCHEMBL619539 0.82 MAPT (0.34) PTGS2ALDH1A1HPGDFPR2FYN
SCHEMBL12338653 0.80 MEN1 (0.37) ARALDH1A1HPGDHSD17B10CHEK2
SCHEMBL10188957 0.80 PTGS2 (0.41) PTGS2ALDH1A1HPGDHSD17B10
SCHEMBL10188964 0.79 PTGS2 (0.48) PTGS2CHEK2
SCHEMBL15159001 0.78 HTT (0.36) PTGS2ALDH1A1HPGDHSD17B10FPR2

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 PTGS2 3488/4885AR 474/4885ALDH1A1 1872/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885AR 474/4885ALDH1A1 1872/4885

“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.