SCHEMBL19377141

SCHEMBL19377141

O=C(NCc1ccccc1)Nc1ccc2c(c1)CC(c1ccc3c(c1)CNC3)S2(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.46
▸ CA12 O43570 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ ROCK2 O75116 5/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ PKN2 Q16513 2/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ PRKG1 Q13976 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ITGB3 P05106 3/20 0.39
▸ ITGA2B P08514 3/20 0.39
▸ IMPDH2 P12268 1/20 0.39

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
SCHEMBL19377136 0.91 JAK3 (0.46) JAK3CA12CA9CA1CA2
SCHEMBL19377382 0.82 HSD17B10 (0.43) ROCK2ITGB3ITGA2B
SCHEMBL19406920 0.75 ITGB3 (0.36) ITGB3ITGA2B
SCHEMBL19406960 0.74 ITGB3 (0.41) MAPTITGB3ITGA2B
SCHEMBL19377377 0.74 ITGB3 (0.46) RAB9ANPC1ITGB3ITGA2B
SCHEMBL19377385 0.73 HSD17B10 (0.43) ROCK2ITGB3ITGA2B
SCHEMBL19377140 0.69 ROCK2 (0.46) ROCK2
SCHEMBL19377285 0.69 NAMPT (0.62) JAK3CA12CA9CA1CA2
SCHEMBL20804368 0.64 NPC1 (0.65) CA12CA9CA1CA2ROCK2
SCHEMBL14470418 0.64 CYP1A2 (0.57) CA12CA9CA1CA2ROCK2

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 5 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 claimed
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
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2017-09-28 — — US disclosed
WO-2017162390-A1 BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2017-09-28 — — 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-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof UTS2R, GHSR, GRPR JAK3 2191/4885CA12 2421/4885CA9 3491/4885

“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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