SCHEMBL362865

SCHEMBL362865

Cc1cc(C(=O)C[C@@H](c2ccc(C(=O)O)cc2)c2ccc(Cl)cc2C)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.55
POLB P06746 2/20 0.41
PROKR1 Q8TCW9 1/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4B O94953 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL364477 0.97 GPBAR1 (0.60) GPBAR1POLBPROKR1KDM4CKDM5B
SCHEMBL365069 0.97 GPBAR1 (0.60) GPBAR1POLBPROKR1KDM4CKDM5B
SCHEMBL1390416 0.91 GPBAR1 (0.46) GPBAR1POLBPROKR1KDM4CKDM5B
SCHEMBL1390415 0.91 GPBAR1 (0.46) GPBAR1POLBPROKR1KDM4CKDM5B
SCHEMBL1390696 0.91 GPBAR1 (0.49) GPBAR1POLBPROKR1MGAMGAA
SCHEMBL370167 0.91 GPBAR1 (0.49) GPBAR1POLBPROKR1MGAMGAA
SCHEMBL363250 0.90 KMT2A (0.46) GPBAR1POLBPROKR1KDM4CKDM5B
SCHEMBL365581 0.90 KMT2A (0.46) GPBAR1POLBPROKR1KDM4CKDM5B
SCHEMBL365582 0.90 KMT2A (0.46) GPBAR1POLBPROKR1KDM4CKDM5B
SCHEMBL362772 0.90 GPBAR1 (0.45) GPBAR1POLBPROKR1MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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 (1 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885POLB 2940/4885PROKR1 242/4885

“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.