SCHEMBL5843965

SCHEMBL5843965

COC(=O)CC(NCc1ccccc1N)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ RCE1 Q9Y256 1/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ITGA4 P13612 1/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PDCD1 Q15116 2/20 0.35
▸ CD274 Q9NZQ7 2/20 0.35
▸ HTT P42858 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
SCHEMBL15729475 0.80 ATM (0.54) ALDH1A1CA12CA1CA2CA9
SCHEMBL5842386 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2ACYP2C19MEN1
SCHEMBL5843971 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDRCE1ITGA4
SCHEMBL24420260 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDRCE1CA12
SCHEMBL29527061 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDRCE1CA12
SCHEMBL29107633 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDRCE1CA12
SCHEMBL18794861 0.75 ATM (0.49) ALDH1A1CA12CA1CA2CA9
SCHEMBL18794858 0.75 ATM (0.49) ALDH1A1CA12CA1CA2CA9
SCHEMBL12820105 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDRCE1TSHR
SCHEMBL3312130 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDRCE1TSHR

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
US-7074783-B2 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-07-11 — — US disclosed
EP-1549622-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS Elian Pharmaceuticals Inc. (US) 2005-07-06 — — EP disclosed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 — — US disclosed
WO-2004033436-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC (US) 2004-04-22 — — WO 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-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists BDKRB1, BDKRB2, HRH2 ALDH1A1 2559/4885KDM4E 3248/4885HPGD 138/4885

“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.

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