SCHEMBL5843971

SCHEMBL5843971

CCOC(=O)C(CC(=O)O)NCc1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HPRT1 P00492 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ ITGB7 P26010 1/20 0.38
▸ MAPT P10636 2/20 0.38

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
SCHEMBL30988969 0.82 SMN1; SMN2 (0.49) MMP8POLBAPEX1CTDSP1TDP1
SCHEMBL11394616 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10MMP8MEN1NPC1
SCHEMBL11393576 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10MMP8MEN1NPC1
SCHEMBL5842388 0.80 MEN1 (0.48) ALDH1A1POLBL3MBTL1MEN1NPC1
SCHEMBL5843965 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL5180417 0.77 KDM4E (0.52) ALDH1A1POLBAPEX1CTDSP1TDP1
SCHEMBL4896298 0.73 NPC1 (0.53) ALDH1A1HSD17B10TDP1MEN1NPC1
SCHEMBL16079372 0.72 PPID (0.54) ALDH1A1MMP8MEN1NPC1KMT2A
SCHEMBL11418812 0.72 FNTA (0.42) ALDH1A1KDM4EHPGDTSHRITGA4
SCHEMBL11230204 0.72 FNTA (0.42) ALDH1A1KDM4EHPGDTSHRITGA4

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 2559/4885HSD17B10 1408/4885MMP8 2055/4885

“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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