SCHEMBL5463159

SCHEMBL5463159

CS(=O)(=O)c1ccc(Nc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.48
▸ MEP1B Q16820 1/20 0.48
▸ CYP26A1 O43174 1/20 0.47
▸ CYP26B1 Q9NR63 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ PTGS2 P35354 1/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TGM2 P21980 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TBXA2R P21731 1/20 0.44

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
SCHEMBL8052632 0.89 PTGDR2 (0.54) MEP1BPTGDR2PTGS2GAAKDM4E
SCHEMBL168163 0.89 PTGDR2 (0.54) MEP1BPTGDR2PTGS2GAAKDM4E
Hydrochloric Acid SCHEMBL15411526 0.88 PTGDR2 (0.52) MEP1BPTGDR2PTGS2GAAKDM4E
SCHEMBL11562112 0.80 SRD5A2 (0.55) MEP1BPTGDR2PTGS2GAAKDM4E
SCHEMBL25667539 0.80 ENPP2 (0.54) GAAMEN1KMT2ATGM2
SCHEMBL28288707 0.79 KMT2A (0.51) MEP1BPTGDR2PTGS2MEN1KMT2A
SCHEMBL1422207 0.77 ALDH1A1 (0.63) CYP26A1CYP26B1GAAKDM4EPOLB
SCHEMBL5464915 0.77 CA1 (0.50) PTGS2MEN1KMT2ATGM2
SCHEMBL3245767 0.76 MEN1 (0.58) PTGS2GAAPOLBMEN1KMT2A
SCHEMBL5455400 0.75 GAA (0.59) GAAKDM4EPOLBMEN1KMT2A

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
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 — — US claimed
EP-1687253-A2 DIPHENYLAMINE DERIVATIVES Merk Patent Gmbh (DE) 2006-08-09 — — EP claimed
WO-2005051888-A2 DIPHENYLAMINE DERIVATIVES MERK PATENT GMBH (DE) 2005-06-09 — — WO claimed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 — — US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 — — US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 — — 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-20070123586-A1 Nitroso derivatives of diphenylamine NOS3, CBR3, CBR1 RORC 2850/4885MEP1B 3166/4885CYP26A1 515/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA RORC 2643/4885MEP1B 3342/4885CYP26A1 1148/4885

“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.

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