SCHEMBL19377378

SCHEMBL19377378

C[C@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(C)C3)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.55
▸ DRD2 P14416 8/20 0.52
▸ DRD3 P35462 8/20 0.52
▸ HTR6 P50406 8/20 0.52
▸ HTR2A P28223 7/20 0.52
▸ HTR2C P28335 7/20 0.52
▸ CYP2C9 P11712 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ KCNA1 Q09470 3/20 0.49
▸ KCNAB1 Q14722 3/20 0.49
▸ IDH1 O75874 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ ABCB1 P08183 1/20 0.45
▸ NAMPT P43490 1/20 0.45

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
SCHEMBL19377375 1.00 ROCK2 (0.55) ROCK2DRD2DRD3HTR6HTR2A
SCHEMBL19377077 0.92 IDH1 (0.52) ROCK2DRD2DRD3HTR6HTR2A
SCHEMBL19377040 0.92 IDH1 (0.52) ROCK2DRD2DRD3HTR6HTR2A
SCHEMBL19377195 0.88 DRD2 (0.53) ROCK2DRD2DRD3HTR6HTR2A
SCHEMBL19377153 0.88 DRD2 (0.51) ROCK2DRD2DRD3HTR6HTR2A
SCHEMBL19377300 0.84 DRD2 (0.49) ROCK2DRD2DRD3HTR6HTR2A
SCHEMBL19377073 0.84 DRD2 (0.52) ROCK2DRD2DRD3HTR6HTR2A
SCHEMBL19377031 0.84 DRD2 (0.52) ROCK2DRD2DRD3HTR6HTR2A
SCHEMBL19377193 0.82 ROCK2 (0.53) ROCK2DRD2DRD3CYP2C9HSD17B10
SCHEMBL19377191 0.82 ROCK2 (0.53) ROCK2DRD2DRD3CYP2C9HSD17B10

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 4 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
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 ROCK2 4208/4885DRD2 4443/4885DRD3 4367/4885

“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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