SCHEMBL9963545

SCHEMBL9963545

Cc1c2nc(NCC(=O)O)sc2cc2sc(NCC(=O)N3CCCCC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.51
FABP4 P15090 1/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.38
PRMT3 O60678 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL9963695 0.99 PTGS2 (0.49) PTGS2FABP4ALDH1A1RAB9AHPGD
SCHEMBL9963553 0.90 PTGS2 (0.47) PTGS2FABP4ALDH1A1RAB9AHPGD
SCHEMBL9963584 0.89 PTGS2 (0.51) PTGS2FABP4ALDH1A1RAB9AHPGD
SCHEMBL9963593 0.89 PTGS2 (0.46) PTGS2FABP4ALDH1A1RAB9AHPGD
SCHEMBL9963633 0.88 PTGS2 (0.40) PTGS2RAB9ATP53
SCHEMBL9963479 0.88 PTGS2 (0.45) PTGS2FABP4ALDH1A1RAB9AHPGD
SCHEMBL9963484 0.88 PTGS2 (0.45) PTGS2FABP4ALDH1A1RAB9AHPGD
SCHEMBL9963546 0.87 PTGS2 (0.49) PTGS2FABP4ALDH1A1RAB9APRMT3
SCHEMBL9963558 0.87 PTGS2 (0.49) PTGS2FABP4ALDH1A1RAB9APRMT3
SCHEMBL9963526 0.87 PTGS2 (0.47) PTGS2ALDH1A1RAB9AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.