SCHEMBL10188948

SCHEMBL10188948

COc1ccc(-c2cnsc2-c2cc(C)c(C)c(OC)c2)cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
IDO1 P14902 4/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NEK2 P51955 1/20 0.38
CTSA P10619 1/20 0.37
CFD P00746 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
PDE4A P27815 1/20 0.36

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
SCHEMBL10188950 0.90 PTGS2 (0.40) PTGS2ALDH1A1MAPK1HSD17B10CTSA
SCHEMBL619190 0.87 TUBB4A (0.44) PTGS2ALDH1A1HSD17B10NEK2
SCHEMBL10188853 0.86 PTGS2 (0.46) PTGS2MAPK1RAB9ANEK2PDE4A
SCHEMBL10188873 0.84 TUBB1 (0.48) PTGS2KDM4ENPC1ALDH1A1MAPK1
SCHEMBL10188813 0.82 PTGS2 (0.46) PTGS2NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10188926 0.82 ALDH1A1 (0.44) PTGS2KDM4ENPC1ALDH1A1MAPK1
SCHEMBL10188934 0.81 PTGS2 (0.45) PTGS2KDM4EALDH1A1
SCHEMBL10188923 0.81 PTGS2 (0.45) PTGS2KDM4E
SCHEMBL10189302 0.81 PTGS2 (0.40) PTGS2KDM4EMAPK1
SCHEMBL10189303 0.81 PTGS2 (0.40) PTGS2KDM4EALDH1A1SMN1; SMN2HSD17B10

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 3488/4885IDO1 4814/4885KDM4E 2492/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885IDO1 4814/4885KDM4E 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.