SCHEMBL10188916

SCHEMBL10188916

COc1cc(-c2sncc2-c2cccnc2)cc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC2A1 P11166 1/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
PDE10A Q9Y233 1/20 0.43
S1PR1 P21453 2/20 0.42
ERN1 O75460 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL10188830 0.94 SLC2A1 (0.46) CYP11B1CYP11B2KDM4ENPC1RAB9A
SCHEMBL10188834 0.86 PTGS2 (0.48) SLC2A1S1PR1ERN1PTGS2FYN
SCHEMBL617751 0.86 POLB (0.55) KDM4EMKNK1MKNK2PDE10AMAPK1
SCHEMBL10188912 0.85 PTGS2 (0.42) CYP11B1CYP11B2ERN1PTGS2CYP17A1
SCHEMBL10188906 0.84 PTGS2 (0.43) S1PR1PTGS2FYN
SCHEMBL10188832 0.84 PTGS2 (0.49) SLC2A1S1PR1ERN1PTGS2CYP17A1
SCHEMBL10188977 0.82 PTGS2 (0.50) KDM4EPTGS2POLBFYN
SCHEMBL10188839 0.81 CYP11B1 (0.43) CYP11B1CYP11B2KDM4ENPC1RAB9A
SCHEMBL10188804 0.81 PTGS2 (0.67) PTGS2FYNEPHB4
SCHEMBL618456 0.81 MAPK1 (0.52) KDM4EMKNK1MKNK2PTGS2MAPK1

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 CYP11B1 904/4885CYP11B2 1054/4885KDM4E 2492/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CYP11B1 904/4885CYP11B2 1054/4885KDM4E 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.