SCHEMBL19377137

SCHEMBL19377137

C[C@H](NC(=O)Nc1ccc2c(c1)CC(c1ccc3c(c1)CN(C)C3)S2(O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.46
▸ HSD17B10 Q99714 1/20 0.43
▸ MTOR P42345 1/20 0.42
▸ C5 P01031 2/20 0.39
▸ IDH1 O75874 1/20 0.39
▸ NAMPT P43490 3/20 0.39
▸ MAPK1 P28482 2/20 0.36
▸ FLT3 P36888 1/20 0.35

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 0.91 ROCK2 (0.46) ROCK2HSD17B10MTORC5IDH1
SCHEMBL19377385 0.88 HSD17B10 (0.43) ROCK2HSD17B10MTORC5IDH1
SCHEMBL19377382 0.79 HSD17B10 (0.43) ROCK2HSD17B10MTORC5IDH1
SCHEMBL19377048 0.78 ROCK2 (0.66) ROCK2HSD17B10MTORNAMPT
SCHEMBL19377374 0.78 ITGB3 (0.46) C5
SCHEMBL19398891 0.76 ACACB (0.42) C5
SCHEMBL19377077 0.74 IDH1 (0.52) ROCK2HSD17B10MTORIDH1NAMPT
SCHEMBL19377040 0.74 IDH1 (0.52) ROCK2HSD17B10MTORIDH1NAMPT
SCHEMBL24800223 0.71 ITGB3 (0.38) ROCK2HSD17B10MTOR
SCHEMBL19377210 0.70 HSD17B10 (0.48) ROCK2HSD17B10MTORIDH1NAMPT

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 claimed
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 ROCK2 4208/4885HSD17B10 2852/4885MTOR 1169/4885

“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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