SCHEMBL9963541

SCHEMBL9963541

Cc1c2nc(NCC(=O)N3CCCC3)sc2cc2sc(NS(=O)(=O)CC(F)(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.40
FABP4 P15090 1/20 0.39
KMO O15229 1/20 0.36
MAPT P10636 2/20 0.34
PRMT3 O60678 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL9963668 0.86 FABP4 (0.38) PTGS2FABP4MAPTPRMT3TP53
SCHEMBL9963695 0.82 PTGS2 (0.49) PTGS2FABP4MAPTPRMT3KDM4E
SCHEMBL9963666 0.81 PTGS2 (0.42) PTGS2MAPTTP53LMNASMN1; SMN2
SCHEMBL9963545 0.81 PTGS2 (0.51) PTGS2FABP4MAPTPRMT3TP53
SCHEMBL9963593 0.81 PTGS2 (0.46) PTGS2FABP4MAPTPRMT3KDM4E
SCHEMBL9963586 0.81 PTGS2 (0.44) PTGS2FABP4MAPTPRMT3TP53
SCHEMBL9963479 0.81 PTGS2 (0.45) PTGS2FABP4MAPTPRMT3TP53
SCHEMBL9963484 0.81 PTGS2 (0.45) PTGS2FABP4PRMT3SMN1; SMN2KDM4E
SCHEMBL9963553 0.81 PTGS2 (0.47) PTGS2FABP4MAPTPRMT3TP53
SCHEMBL9963560 0.80 FABP4 (0.39) PTGS2FABP4ALDH1A1TSHR

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 2872/4885FABP4 1794/4885KMO 3221/4885

“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.