SCHEMBL9963508

SCHEMBL9963508

COC(=O)c1c2sc(NCC(=O)N3CCCC3)nc2cc2nc(NCC(=O)N3CCN(C)CC3)sc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.52
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
TLR2 O60603 3/20 0.38
STAT3 P40763 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
FABP4 P15090 1/20 0.35
SCD O00767 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
SCHEMBL9963509 0.86 PTGS2 (0.52) PTGS2ALDH1A1RAB9AGAAHPGD
SCHEMBL9963497 0.83 PTGS2 (0.54) PTGS2ALDH1A1RAB9AGAASTAT3
SCHEMBL9963503 0.79 PTGS2 (0.52) PTGS2STAT3HTR1AHTR1DHTR1B
SCHEMBL9963675 0.78 PTGS2 (0.55) PTGS2ALDH1A1RAB9ASTAT3HTR1A
SCHEMBL9963510 0.77 PTGS2 (0.54) PTGS2ALDH1A1RAB9AGAAHTR1A
SCHEMBL9963618 0.77 PTGS2 (0.54) PTGS2ALDH1A1RAB9ASTAT3HTR1A
SCHEMBL9963490 0.76 PTGS2 (0.53) PTGS2ALDH1A1RAB9AGAASTAT3
SCHEMBL9963627 0.75 PTGS2 (0.53) PTGS2ALDH1A1RAB9AGAAHPGD
SCHEMBL9963603 0.75 PTGS2 (0.53) PTGS2ALDH1A1RAB9AGAATSHR
SCHEMBL9963496 0.74 PTGS2 (0.51) PTGS2ALDH1A1RAB9AGAAHPGD

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 2872/4885ALDH1A1 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.