SCHEMBL10188950

SCHEMBL10188950

COC(=O)c1cc(-c2cnsc2-c2cc(C)c(C)c(OC)c2)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DHODH Q02127 1/20 0.36
POLQ O75417 2/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35
ACVR1 Q04771 1/20 0.35
SLC2A1 P11166 1/20 0.35
CTSA P10619 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.34

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
SCHEMBL10188948 0.90 PTGS2 (0.41) PTGS2MAPK1ALDH1A1HSD17B10ACVR1
SCHEMBL615930 0.88 TUBB4A (0.44) PTGS2MAPK1MAPTALDH1A1HPGD
SCHEMBL10188854 0.87 SLC2A1 (0.48) PTGS2MAPK1MAPTALDH1A1HTT
SCHEMBL10188926 0.83 ALDH1A1 (0.44) PTGS2MAPK1MAPTALDH1A1HPGD
SCHEMBL10188873 0.83 TUBB1 (0.48) PTGS2MAPK1MAPTALDH1A1HPGD
SCHEMBL10188813 0.82 PTGS2 (0.46) PTGS2MAPTALDH1A1HSD17B10POLQ
SCHEMBL10188853 0.81 PTGS2 (0.46) PTGS2MAPK1POLQHTT
SCHEMBL10188934 0.81 PTGS2 (0.45) PTGS2ALDH1A1
SCHEMBL10188923 0.81 PTGS2 (0.45) PTGS2MAPT
SCHEMBL10189302 0.80 PTGS2 (0.40) PTGS2MAPK1POLQHTT

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 3488/4885MAPK1 750/4885MAPT 95/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885MAPK1 750/4885MAPT 95/4885

“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.