SCHEMBL2471727

SCHEMBL2471727

O=C(O)COc1ccc(CN(Cc2csc(-c3ccc(C(=O)NCCCCc4ccccc4)cc3)n2)C(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.50
MAPT P10636 6/20 0.50
LMNA P02545 3/20 0.50
PTPN1 P18031 1/20 0.50
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
GCGR P47871 1/20 0.46
GIPR P48546 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5100829 0.92 PTPN1 (0.44) TP53MAPTLMNAPTPN1POLB
SCHEMBL2472074 0.91 TP53 (0.53) TP53MAPTLMNAPTPN1POLB
SCHEMBL2471479 0.89 MAPT (0.49) TP53MAPTLMNAPTPN1POLB
SCHEMBL2468727 0.88 TP53 (0.50) TP53MAPTLMNAPTPN1POLB
SCHEMBL5100796 0.87 MAPK14 (0.55) TP53MAPTLMNAPTPN1POLB
SCHEMBL2470655 0.87 MAPT (0.49) TP53MAPTLMNAPOLBKDM4E
SCHEMBL14208479 0.86 PTPN1 (0.53) TP53MAPTLMNAPTPN1POLB
SCHEMBL2469743 0.85 MAPT (0.46) TP53MAPTPTPN1POLBSMN1; SMN2
SCHEMBL2469736 0.85 MAPT (0.46) TP53MAPTPTPN1POLBSMN1; SMN2
SCHEMBL2473831 0.85 MAPT (0.45) TP53MAPTPTPN1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US claimed
EP-1656139-B1 ARYL DICARBOXAMIDES MERCK SERONO SA (CH) 2011-10-05 EP disclosed
EP-1656139-B1 ARYL DICARBOXAMIDES MERCK SERONO SA (CH) 2011-10-05 EP disclosed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
US-20060189583-A1 Aryl dicarboxamides MERCK SERONO SA (CH) 2006-08-24 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-20060189583-A1 Aryl dicarboxamides GPR119, PTPRS, ECHS1 TP53 1795/4885MAPT 4883/4885LMNA 2595/4885

“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.