SCHEMBL10189429

SCHEMBL10189429

COc1ccc(-c2csnc2-c2cc(C)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
CIT O14578 1/20 0.35
MEN1 O00255 1/20 0.34
PRNP P04156 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASR P41180 1/20 0.33
GPR142 Q7Z601 1/20 0.33
AAK1 Q2M2I8 4/20 0.33
LMNA P02545 1/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ADAMTS4 O75173 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32

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
SCHEMBL10189427 1.00 S1PR1 (0.38) S1PR1CITMEN1PRNPKMT2A
SCHEMBL10189459 0.95 CIT (0.37) S1PR1CITMEN1PRNPKMT2A
SCHEMBL10240329 0.95 CIT (0.37) S1PR1CITMEN1PRNPKMT2A
SCHEMBL10242420 0.95 CIT (0.37) S1PR1CITMEN1PRNPKMT2A
Hydrochloric Acid SCHEMBL616864 0.94 CIT (0.37) S1PR1CITMEN1PRNPKMT2A
SCHEMBL10189431 0.93 CIT (0.35) S1PR1CITMEN1KMT2AGPR142
SCHEMBL10189430 0.93 CIT (0.35) S1PR1CITMEN1KMT2AGPR142
SCHEMBL10189426 0.92 CIT (0.38) CITCASRGPR142AAK1LMNA
SCHEMBL10189425 0.92 CIT (0.38) CITCASRGPR142AAK1LMNA
SCHEMBL10189437 0.89 SUV39H2 (0.38) CITAAK1LMNARXFP1

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 S1PR1 405/4885CIT 337/4885MEN1 1571/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 S1PR1 405/4885CIT 337/4885MEN1 1571/4885

“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.