SCHEMBL6629028

SCHEMBL6629028

C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3)C(=O)N12)C(=O)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.40
IL1B P01584 2/20 0.38
LCK P06239 9/20 0.35
CASP3 P42574 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
PTGER4 P35408 1/20 0.34
F10 P00742 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
SCHEMBL6629031 1.00 CASP1 (0.40) CASP1IL1BLCKCASP3CASP6
SCHEMBL6626823 0.94 CASP1 (0.38) CASP1IL1BLCKCASP3CASP6
SCHEMBL6626820 0.94 CASP1 (0.38) CASP1IL1BLCKCASP3CASP6
SCHEMBL6627445 0.91 CASP1 (0.40) CASP1IL1BLCKCASP3CASP6
SCHEMBL7089222 0.87 CASP1 (0.35) CASP1IL1BLCKMMEACE
SCHEMBL6626880 0.87 CASP1 (0.38) CASP1IL1BLCKMMEACE
SCHEMBL6670787 0.87 CASP1 (0.36) CASP1IL1BLCKMMEACE
SCHEMBL6626824 0.87 CASP1 (0.38) CASP1IL1BLCKMMEACE
SCHEMBL6627591 0.82 F10 (0.40) CASP1IL1BLCKF10
SCHEMBL6627595 0.82 F10 (0.40) CASP1IL1BLCKF10

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 CASP1 2506/4885IL1B 2994/4885LCK 4642/4885

“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.