SCHEMBL19377425

SCHEMBL19377425

C[C@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNCC3)cc1)c1cccc(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 2/20 0.49
▸ HTR6 P50406 5/20 0.49
▸ HTR2C P28335 4/20 0.49
▸ DRD2 P14416 3/20 0.49
▸ DRD3 P35462 3/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ MLNR O43193 1/20 0.42
▸ HTR2B P41595 2/20 0.41
▸ PCTP Q9UKL6 1/20 0.40
▸ STARD10 Q9Y365 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ SLC2A1 P11166 1/20 0.38
▸ CCR9 P51686 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ PRKCE Q02156 1/20 0.38
▸ PRKG1 Q13976 1/20 0.38
▸ PKN2 Q16513 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
SCHEMBL19377427 1.00 PNMT (0.49) PNMTHTR6HTR2CDRD2DRD3
SCHEMBL19377457 0.97 HTR6 (0.45) PNMTHTR6HTR2CDRD2DRD3
SCHEMBL19377455 0.97 HTR6 (0.45) PNMTHTR6HTR2CDRD2DRD3
SCHEMBL19377369 0.86 MLNR (0.46) PNMTHTR6HTR2CDRD2DRD3
SCHEMBL19377366 0.86 MLNR (0.46) PNMTHTR6HTR2CDRD2DRD3
SCHEMBL19406915 0.85 ALDH1A1 (0.40) HTR6HTR2CDRD2DRD3HTR2A
SCHEMBL19377031 0.84 DRD2 (0.52) HTR6HTR2CDRD2DRD3HTR2A
SCHEMBL19377230 0.84 PCTP (0.40) PCTPSTARD10IDH1
SCHEMBL19377073 0.84 DRD2 (0.52) HTR6HTR2CDRD2DRD3HTR2A
SCHEMBL19377228 0.84 PCTP (0.40) PCTPSTARD10IDH1

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 PNMT 819/4885HTR6 231/4885HTR2C 530/4885

“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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