SCHEMBL9963546

SCHEMBL9963546

O=C(O)CNc1nc2c(F)c3nc(NCC(=O)N4CCCC4)sc3cc2s1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.49
FABP4 P15090 1/20 0.40
PRMT3 O60678 2/20 0.35
PIN1 Q13526 4/20 0.35
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LIPC P11150 1/20 0.34
LIPG Q9Y5X9 1/20 0.34

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
SCHEMBL9963525 0.89 PTGS2 (0.45) PTGS2FABP4PRMT3RAB9AALDH1A1
SCHEMBL9963558 0.88 PTGS2 (0.49) PTGS2FABP4PRMT3RAB9AALDH1A1
SCHEMBL9963695 0.88 PTGS2 (0.49) PTGS2FABP4PRMT3RAB9AALDH1A1
SCHEMBL9963521 0.88 PTGS2 (0.48) PTGS2FABP4PRMT3RAB9AALDH1A1
SCHEMBL9963545 0.87 PTGS2 (0.51) PTGS2FABP4PRMT3RAB9AALDH1A1
SCHEMBL9963566 0.85 PTGS2 (0.47) PTGS2FABP4PRMT3RAB9AALDH1A1
SCHEMBL9963610 0.83 PTGS2 (0.54) PTGS2FABP4PRMT3RAB9AALDH1A1
SCHEMBL9963635 0.83 PTGS2 (0.50) PTGS2FABP4PRMT3RAB9AALDH1A1
SCHEMBL9966068 0.81 PTGS2 (0.48) PTGS2FABP4PRMT3RAB9AALDH1A1
SCHEMBL9963633 0.80 PTGS2 (0.40) PTGS2PIN1RAB9A

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 1794/4885PRMT3 902/4885

“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.