SCHEMBL6628836

SCHEMBL6628836

O=C(COC(=O)c1c(Cl)cccc1Cl)CC(NC(=O)[C@@H]1CCCN2C(=O)CCC(NC(=O)NCCc3cccs3)C(=O)N12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.43
IL1B P01584 2/20 0.40
ADAM17 P78536 5/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
LCK P06239 7/20 0.37
ADAM10 O14672 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 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
SCHEMBL6629417 0.88 CASP1 (0.41) CASP1IL1BADAM17MMEACE
SCHEMBL6627770 0.88 CASP1 (0.41) CASP1IL1BADAM17MMEACE
SCHEMBL6629495 0.88 ADAM17 (0.38) CASP1IL1BADAM17MMEACE
SCHEMBL6628832 0.87 LCK (0.45) CASP1MMEACELCK
SCHEMBL6628827 0.87 LCK (0.45) CASP1MMEACELCK
SCHEMBL6627209 0.86 CASP1 (0.42) CASP1IL1BADAM17MMEACE
SCHEMBL6628442 0.84 CASP1 (0.38) CASP1IL1BADAM17MMEACE
SCHEMBL6628441 0.84 CASP1 (0.38) CASP1IL1BADAM17MMEACE
SCHEMBL6627309 0.83 CASP1 (0.48) CASP1IL1BMMEACELCK
SCHEMBL6627548 0.83 CASP1 (0.45) CASP1IL1BMMEACELCK

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 2994/4885ADAM17 2579/4885

“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.