SCHEMBL9963583

SCHEMBL9963583

Cc1c2nc(NCC(=O)N3CCCC3)sc2cc2sc(NCC(=O)N3CCC(NC4CCCC4)CC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRK1 P41145 2/20 0.38
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.36
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 2/20 0.35
FABP4 P15090 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
SCHEMBL9963564 0.88 PTGS2 (0.43) PTGS2LMNARAB9AALDH1A1MAPT
SCHEMBL9963572 0.86 TP53 (0.51) PTGS2L3MBTL1TP53RAB9AALDH1A1
SCHEMBL9963695 0.85 PTGS2 (0.49) PTGS2RAB9AALDH1A1GAAMAPT
SCHEMBL9963585 0.85 BCHE (0.45) PTGS2L3MBTL1TP53LMNAALDH1A1
SCHEMBL9963574 0.85 PTGS2 (0.44) PTGS2TP53LMNARAB9AALDH1A1
SCHEMBL9963577 0.85 PTGS2 (0.44) PTGS2L3MBTL1TP53LMNARAB9A
SCHEMBL9963545 0.84 PTGS2 (0.51) PTGS2TP53RAB9AALDH1A1GAA
SCHEMBL9963593 0.84 PTGS2 (0.46) PTGS2RAB9AALDH1A1GAAMAPT
SCHEMBL9963580 0.83 ACHE (0.45) PTGS2L3MBTL1TP53LMNAALDH1A1
SCHEMBL9963484 0.83 PTGS2 (0.45) PTGS2ATMRAB9AALDH1A1GAA

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 2872/4885THRB 3434/4885ATM 3197/4885

“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.