SCHEMBL19406920

SCHEMBL19406920

C[C@H](NC(O)Nc1ccc2c(c1)CC(c1ccc3c(c1)CNC3)S2(=O)=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.36
▸ ITGA2B P08514 5/20 0.36
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ ACP3 P15309 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL19377382 0.86 HSD17B10 (0.43) ITGB3ITGA2BCHRM2CHRM1CHRM3
SCHEMBL19406960 0.82 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL19377385 0.77 HSD17B10 (0.43) ITGB3ITGA2BCHRM2CHRM1CHRM3
SCHEMBL19377377 0.76 ITGB3 (0.46) ITGB3ITGA2BPOLB
SCHEMBL19377141 0.75 JAK3 (0.46) ITGB3ITGA2B
SCHEMBL19377140 0.73 ROCK2 (0.46) HSD17B10
SCHEMBL19377374 0.67 ITGB3 (0.46) ITGB3ITGA2BPOLB
SCHEMBL19377036 0.67 HSD17B10 (0.42) ITGB3ITGA2BHSD17B10L3MBTL1
SCHEMBL19377136 0.66 JAK3 (0.46) ITGB3ITGA2B
SCHEMBL19377032 0.63 HSD17B10 (0.42) ITGB3ITGA2BHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2017-09-28 — — 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-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof UTS2R, GHSR, GRPR ITGB3 4595/4885ITGA2B 4377/4885CHRM2 1421/4885

“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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