SCHEMBL9963584

SCHEMBL9963584

COC(=O)CNc1nc2c(C)c3nc(NCC(=O)N4CCCCC4)sc3cc2s1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.51
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
FABP4 P15090 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 2/20 0.36
SCD O00767 1/20 0.36
PRMT3 O60678 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL9963544 0.89 PTGS2 (0.48) PTGS2ALDH1A1RAB9AGAATSHR
SCHEMBL9963521 0.89 PTGS2 (0.48) PTGS2ALDH1A1RAB9AGAATSHR
SCHEMBL9963545 0.89 PTGS2 (0.51) PTGS2ALDH1A1RAB9AGAATSHR
SCHEMBL9963604 0.89 PTGS2 (0.41) PTGS2ALDH1A1RAB9AGAATSHR
SCHEMBL9963553 0.88 PTGS2 (0.47) PTGS2ALDH1A1RAB9AGAATSHR
SCHEMBL9963695 0.88 PTGS2 (0.49) PTGS2ALDH1A1RAB9AGAATSHR
SCHEMBL9963526 0.87 PTGS2 (0.47) PTGS2ALDH1A1RAB9AGAATSHR
SCHEMBL9963593 0.87 PTGS2 (0.46) PTGS2ALDH1A1RAB9AGAATSHR
SCHEMBL9963603 0.87 PTGS2 (0.53) PTGS2ALDH1A1RAB9AGAATSHR
SCHEMBL9963654 0.86 PTGS2 (0.39) PTGS2ALDH1A1RAB9AGAASMN1; SMN2

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 2872/4885ALDH1A1 51/4885RAB9A 696/4885

“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.