SCHEMBL9963553

SCHEMBL9963553

CC(=O)N1CCN(C(=O)CNc2nc3c(C)c4nc(NCC(=O)N5CCCCC5)sc4cc3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.47
FABP4 P15090 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.37
GAA P10253 2/20 0.36
RAF1 P04049 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PRMT3 O60678 2/20 0.36
GBA1 P04062 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 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
SCHEMBL9963545 0.90 PTGS2 (0.51) PTGS2FABP4ALDH1A1RAB9AHPGD
SCHEMBL9963695 0.89 PTGS2 (0.49) PTGS2FABP4ALDH1A1RAB9AHPGD
SCHEMBL9963526 0.88 PTGS2 (0.47) PTGS2ALDH1A1RAB9AGAAMAPT
SCHEMBL9963584 0.88 PTGS2 (0.51) PTGS2FABP4ALDH1A1RAB9AHPGD
SCHEMBL9963593 0.88 PTGS2 (0.46) PTGS2FABP4ALDH1A1RAB9AHPGD
SCHEMBL9963586 0.87 PTGS2 (0.44) PTGS2FABP4ALDH1A1RAB9AMAPT
SCHEMBL9963484 0.87 PTGS2 (0.45) PTGS2FABP4ALDH1A1RAB9AHPGD
SCHEMBL9963479 0.87 PTGS2 (0.45) PTGS2FABP4ALDH1A1RAB9AHPGD
SCHEMBL9963585 0.86 BCHE (0.45) PTGS2ALDH1A1HPGDMAPTTP53
SCHEMBL9963572 0.85 TP53 (0.51) PTGS2ALDH1A1RAB9AHPGDGAA

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-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 PTGS2 2872/4885FABP4 1794/4885ALDH1A1 51/4885

“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.