SCHEMBL10188902

SCHEMBL10188902

COc1ccc(-c2cnsc2-c2cc(C)c(C)c(OC)c2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GFER P55789 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL10188956 0.87 PTGS2 (0.46) PTGS2MAPTMAPK1KMT2AMEN1
SCHEMBL617557 0.86 PTGS2 (0.50) PTGS2MAPTKDM4EKMT2AMEN1
SCHEMBL10188804 0.85 PTGS2 (0.67) PTGS2CYP1A1CYP1B1
SCHEMBL10188977 0.84 PTGS2 (0.50) PTGS2KDM4E
SCHEMBL10188820 0.84 PTGS2 (0.65) PTGS2
SCHEMBL10188957 0.84 PTGS2 (0.41) PTGS2KDM4EMAPK1HSD17B10KMT2A
SCHEMBL10188873 0.82 TUBB1 (0.48) PTGS2MAPTKDM4EMAPK1HSD17B10
SCHEMBL10188880 0.81 PTGS2 (0.47) PTGS2NPC1RAB9A
SCHEMBL10188900 0.79 PTGS2 (0.37) PTGS2LMNATSHRMAPK1HSD17B10
SCHEMBL10242291 0.78 PTGS2 (0.72) PTGS2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966172-B1 THIAZOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 EP disclosed
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 3488/4885MAPT 95/4885KDM4E 2492/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885MAPT 95/4885KDM4E 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.