SCHEMBL9963633

SCHEMBL9963633

Cc1c2nc(NCC(=O)O)sc2cc2sc(NCC(=O)N3CCC(F)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.40
LMNA P02545 1/20 0.37
EGLN1 Q9GZT9 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SCD O00767 1/20 0.35
NPY5R Q15761 2/20 0.34
TP53 P04637 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PIN1 Q13526 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
SCHEMBL9963604 0.90 PTGS2 (0.41) PTGS2LMNANPC1RAB9ANPY5R
SCHEMBL9963695 0.89 PTGS2 (0.49) PTGS2RAB9A
SCHEMBL9963545 0.88 PTGS2 (0.51) PTGS2RAB9ATP53
SCHEMBL9963674 0.88 PTGS2 (0.38) PTGS2LMNANPC1RAB9ANPY5R
SCHEMBL9963550 0.86 ACHE (0.42) PTGS2LMNATP53
SCHEMBL9963602 0.82 PTGS2 (0.44) PTGS2LMNANPC1RAB9A
SCHEMBL9963572 0.81 TP53 (0.51) PTGS2RAB9ATP53
SCHEMBL9963583 0.81 PTGS2 (0.42) PTGS2LMNANPC1RAB9ATP53
SCHEMBL9963663 0.81 TP53 (0.37) PTGS2LMNANPY5RTP53
SCHEMBL9963672 0.81 PTGS2 (0.38) PTGS2

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 2872/4885LMNA 157/4885EGLN1 2902/4885

“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.