SCHEMBL19398891

SCHEMBL19398891

COc1ccc(C(C)NC(=O)Nc2ccc3c(c2)CC(c2ccc4c(c2)CN(Cc2ccccc2)C4)S3(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 14/20 0.42
▸ ABCB1 P08183 1/20 0.39
▸ C5 P01031 2/20 0.38
▸ TNF P01375 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ KCNJ6 P48051 1/20 0.38
▸ KCNJ5 P48544 1/20 0.38
▸ KCNJ3 P48549 1/20 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
SCHEMBL19377140 0.84 ROCK2 (0.46) C5
SCHEMBL19377377 0.82 ITGB3 (0.46) C5
SCHEMBL19377279 0.80 HTR1A (0.43) ACACBABCB1TNFNOD2NOD1
SCHEMBL19377277 0.78 ACACB (0.44) ACACBABCB1TNFNOD2NOD1
SCHEMBL19377382 0.77 HSD17B10 (0.43) C5
SCHEMBL19377137 0.76 ROCK2 (0.46) C5
SCHEMBL19377374 0.75 ITGB3 (0.46) C5
SCHEMBL24800223 0.73 ITGB3 (0.38) —
SCHEMBL19377412 0.71 HSD17B10 (0.46) ACACBABCB1
SCHEMBL19377385 0.69 HSD17B10 (0.43) C5

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 2 patents. 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
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 ACACB 2049/4885ABCB1 1573/4885C5 4885/4885

“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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