SCHEMBL9963602

SCHEMBL9963602

Cc1c2nc(NCC(=O)O)sc2cc2sc(NCC(=O)O)nc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PI4KB Q9UBF8 1/20 0.38
ALDH1A1 P00352 2/20 0.36
RORC P51449 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
MITF O75030 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9963615 0.92 PTGS2 (0.43) PTGS2GAAMAPTNPC1RAB9A
SCHEMBL9963695 0.86 PTGS2 (0.49) PTGS2GAAMAPTRAB9AALDH1A1
SCHEMBL9963545 0.85 PTGS2 (0.51) PTGS2GAAMAPTRAB9AMEN1
SCHEMBL9963542 0.85 PTGS2 (0.43) PTGS2GAAMAPTNPC1MEN1
SCHEMBL9963493 0.85 GAA (0.39) PTGS2GAAMAPTNPC1RAB9A
SCHEMBL9963516 0.84 PTGS2 (0.44) PTGS2GAANPC1RAB9AMEN1
SCHEMBL9963633 0.82 PTGS2 (0.40) PTGS2NPC1RAB9ALMNA
SCHEMBL9963550 0.79 ACHE (0.42) PTGS2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4488488 0.79 HDAC6 (0.50) PTGS2MAPTNPC1RAB9AMITF
SCHEMBL9963672 0.78 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 2872/4885GAA 506/4885MAPT 1865/4885

“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.