SCHEMBL370556

SCHEMBL370556

Cc1cc(C(=O)CC(c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.51
WNT3A P56704 1/20 0.44
CCNT1 O60563 13/20 0.42
CDK9 P50750 13/20 0.42
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL370555 1.00 GPBAR1 (0.51) GPBAR1WNT3ACCNT1CDK9MMP2
SCHEMBL368357 0.90 GPBAR1 (0.64) GPBAR1WNT3ACCNT1CDK9MMP2
SCHEMBL368358 0.90 GPBAR1 (0.64) GPBAR1WNT3ACCNT1CDK9MMP2
SCHEMBL368359 0.90 GPBAR1 (0.64) GPBAR1WNT3ACCNT1CDK9MMP2
SCHEMBL368360 0.90 GPBAR1 (0.64) GPBAR1WNT3ACCNT1CDK9MMP2
SCHEMBL362897 0.87 GPBAR1 (0.53) GPBAR1WNT3A
SCHEMBL15949153 0.83 GPBAR1 (0.49) GPBAR1L3MBTL1
SCHEMBL15949155 0.83 GPBAR1 (0.49) GPBAR1L3MBTL1
SCHEMBL368904 0.82 GPBAR1 (0.48) GPBAR1WNT3A
SCHEMBL369505 0.82 GPBAR1 (0.48) GPBAR1WNT3A

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 6 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 claimed
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 1/4885WNT3A 4280/4885CCNT1 2103/4885

“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.