SCHEMBL3426136

SCHEMBL3426136

COc1cc(NC(=O)C2(NC(=O)c3ccc(Br)s3)CCCCCC2)ccc1C(=O)N1CCNC(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
FAAH O00519 3/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPK14 Q16539 2/20 0.38
PDE7A Q13946 2/20 0.37
QPCT Q16769 1/20 0.36
FGFR1 P11362 1/20 0.36
MTOR P42345 2/20 0.35
PIK3CA P42336 1/20 0.35
HSD11B1 P28845 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TRPV1 Q8NER1 2/20 0.34
HDAC1 Q13547 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
SCHEMBL5564151 0.89 FAAH (0.46) FAAHPOLBTDP1ALDH1A1MAPK14
SCHEMBL3426285 0.83 MAPK14 (0.38) CTSLCTSBCTSSPOLBALDH1A1
SCHEMBL3428698 0.81 MAPK14 (0.38) CTSLCTSBCTSSALDH1A1LMNA
SCHEMBL3425541 0.79 MAPK14 (0.39) CTSLCTSBCTSSPOLBLMNA
SCHEMBL3425883 0.78 F10 (0.39) CTSLCTSBCTSSPOLBLMNA
SCHEMBL3426268 0.77 CTSS (0.51) CTSLCTSBCTSSFAAHPOLB
SCHEMBL3427317 0.77 F10 (0.51) CTSLCTSBCTSSFAAHPOLB
SCHEMBL3426110 0.75 F10 (0.51) CTSLCTSBCTSSFAAHPOLB
SCHEMBL3429227 0.74 CTSL (0.47) CTSLCTSBCTSSPOLBLMNA
SCHEMBL3426427 0.74 MAPK14 (0.39) CTSLCTSBCTSSPOLBGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732466-B2 Substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-08 US disclosed
US-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 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-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 CTSL 1657/4885CTSB 2371/4885CTSS 1724/4885

“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.