SCHEMBL371318

SCHEMBL371318

Cc1cc(C(=O)C[C@H](c2ccc(N3CCS(=O)(=O)CC3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.51
CTSA P10619 3/20 0.41
KDM4E B2RXH2 1/20 0.40
NR3C2 P08235 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
WNT3A P56704 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
FAAH O00519 2/20 0.35

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
SCHEMBL363560 0.89 GPBAR1 (0.52) GPBAR1CTSAKDM4EALDH1A1PSEN1
SCHEMBL363790 0.89 GPBAR1 (0.52) GPBAR1CTSAKDM4EALDH1A1PSEN1
SCHEMBL15949081 0.89 GPBAR1 (0.52) GPBAR1CTSAKDM4EALDH1A1PSEN1
SCHEMBL1390319 0.88 GPBAR1 (0.65) GPBAR1CTSAKDM4ENR3C2ALDH1A1
SCHEMBL1389897 0.88 GPBAR1 (0.65) GPBAR1CTSAKDM4ENR3C2ALDH1A1
SCHEMBL15949057 0.87 GPBAR1 (0.51) GPBAR1CTSANR3C2MEN1KMT2A
SCHEMBL15949056 0.87 GPBAR1 (0.51) GPBAR1CTSANR3C2MEN1KMT2A
SCHEMBL362197 0.86 GPBAR1 (0.50) GPBAR1CTSAKDM4ENR3C2MEN1
SCHEMBL362799 0.86 GPBAR1 (0.50) GPBAR1CTSAKDM4ENR3C2MEN1
SCHEMBL362161 0.86 GPBAR1 (0.50) GPBAR1CTSAKDM4ENR3C2MEN1

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 1/4885CTSA 3225/4885KDM4E 4298/4885

“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.