SCHEMBL3428741

SCHEMBL3428741

Cc1cc(NC(=O)C2(NC(=O)c3ccc(Br)s3)CCOC2)ccc1C(=O)N1CCC[C@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
RAB9A P51151 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
NPC1 O15118 4/20 0.35
NFKB1 P19838 3/20 0.35
NFKB2 Q00653 3/20 0.35
RELA Q04206 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
F10 P00742 2/20 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
SCHEMBL3424938 0.92 HRH3 (0.38) CTSLCTSBCTSSRAB9AMEN1
SCHEMBL3424315 0.91 F10 (0.45) RAB9ATDP1MEN1KMT2AMAPT
SCHEMBL3771943 0.86 F10 (0.48) CTSLCTSBCTSSRAB9AMEN1
SCHEMBL3777662 0.86 F10 (0.48) CTSLCTSBCTSSRAB9AMEN1
SCHEMBL3421749 0.86 F10 (0.48) CTSLCTSBCTSSRAB9AMEN1
SCHEMBL3427445 0.83 F10 (0.45) TDP1NPC1NFKB1F10HSD11B1
SCHEMBL3425891 0.83 F10 (0.41) CTSLCTSBCTSSRAB9AMEN1
SCHEMBL3429455 0.81 F10 (0.40) CTSLCTSBCTSSRAB9AMEN1
SCHEMBL3425883 0.79 F10 (0.39) CTSLCTSBCTSSRAB9AMEN1
SCHEMBL8282474 0.79 CTSL (0.45) CTSLCTSBCTSSRAB9AMEN1

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.