SCHEMBL5045680

SCHEMBL5045680

COC(C(=O)NCc1ccc(C#N)cc1)c1c(F)ccc(Oc2ccc(F)cc2)c1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.45
PRMT6 Q96LA8 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
TBXA2R P21731 3/20 0.40
PTGER4 P35408 2/20 0.40
PTGER2 P43116 1/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1B Q00975 1/20 0.38
PKM P14618 1/20 0.38
CYP2D6 P10635 1/20 0.37
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.37
VNN1 O95497 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL5045682 1.00 CARM1 (0.45) CARM1PRMT6L3MBTL1TBXA2RPTGER4
SCHEMBL5042017 0.83 CARM1 (0.43) CARM1PRMT6L3MBTL1PTGER4PTGER2
SCHEMBL5042014 0.83 CARM1 (0.43) CARM1PRMT6L3MBTL1PTGER4PTGER2
SCHEMBL5041495 0.83 PKM (0.42) PPARAPKMALDH1A1VNN1
SCHEMBL5041491 0.83 PKM (0.42) PPARAPKMALDH1A1VNN1
SCHEMBL5040768 0.82 PKM (0.41) PPARAPKMALDH1A1VNN1
SCHEMBL5040771 0.82 PKM (0.41) PPARAPKMALDH1A1VNN1
Acetic Acid SCHEMBL5043119 0.82 CARM1 (0.44) CARM1PRMT6L3MBTL1PTGER4PTGER2
SCHEMBL5043146 0.81 PPARA (0.39) PPARAPKMVNN1
SCHEMBL5047731 0.81 PKM (0.43) PPARAPKMALDH1A1VNN1KMT2A

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 CARM1 3874/4885PRMT6 1191/4885L3MBTL1 1475/4885

“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.