SCHEMBL12012103

SCHEMBL12012103

C=C(C)OC(=O)NCC=O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21682379 0.76 GPR174 (0.31) —
SCHEMBL824789 0.76 — —
SCHEMBL4071211 0.75 — —
SCHEMBL12393921 0.74 PTGS1 (0.35) HSD17B10TDP1ALDH1A1
SCHEMBL3696695 0.72 EGLN1 (0.43) HSD17B10TDP1ALDH1A1
SCHEMBL12363095 0.72 HSD17B10 (0.42) HSD17B10TDP1ALDH1A1
SCHEMBL22281707 0.72 TDP1 (0.42) HSD17B10TDP1ALDH1A1
SCHEMBL14598360 0.72 — —
SCHEMBL12393809 0.72 TRPA1 (0.57) ALDH1A1
SCHEMBL3826024 0.71 — —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 — — US disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 — — WO disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — 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-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 HSD17B10 1112/4885TDP1 2257/4885ALDH1A1 428/4885

“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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