SCHEMBL6627591

SCHEMBL6627591

CC(C)C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C(=O)N12)C(=O)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.40
LCK P06239 7/20 0.40
CASP1 P29466 4/20 0.39
IL1B P01584 1/20 0.37

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
SCHEMBL6627595 1.00 F10 (0.40) F10LCKCASP1IL1B
SCHEMBL6632322 0.91 F10 (0.44) F10
SCHEMBL6626823 0.89 CASP1 (0.38) LCKCASP1IL1B
SCHEMBL6626820 0.89 CASP1 (0.38) LCKCASP1IL1B
SCHEMBL6627474 0.88 CASP1 (0.41) LCKCASP1IL1B
SCHEMBL6627471 0.88 CASP1 (0.41) LCKCASP1IL1B
SCHEMBL6627598 0.86 F10 (0.41) F10LCKCASP1
SCHEMBL6629031 0.82 CASP1 (0.40) F10LCKCASP1IL1B
SCHEMBL6629028 0.82 CASP1 (0.40) F10LCKCASP1IL1B
SCHEMBL6626592 0.82 F10 (0.43) F10LCKCASP1IL1B

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
EP-1246824-B1 CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AVENTIS PHARMA SA (FR) 2004-06-09 EP claimed
US-20030100550-A1 Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof AVENTIS PHARMA S.A. (FR) 2003-05-29 US claimed
EP-1246824-B1 CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AVENTIS PHARMA SA (FR) 2004-06-09 EP disclosed
US-20030100550-A1 Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof AVENTIS PHARMA S.A. (FR) 2003-05-29 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-20030100550-A1 Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof HRH4, HRH3, HRH2 F10 2025/4885LCK 4642/4885CASP1 2506/4885

“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.