SCHEMBL19377651

SCHEMBL19377651

CC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)Cc2ccc3c(c2)CNC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 7/20 0.47
▸ DRD2 P14416 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ HTR6 P50406 2/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP2D6 P10635 4/20 0.39
▸ GHSR Q92847 5/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL19377434 0.86 MMP2 (0.46) MLNRDRD2DRD3HTR6NPC1
SCHEMBL19377184 0.85 NAMPT (0.47) MLNRDRD2DRD3HTR6MEN1
SCHEMBL19377261 0.85 CA12 (0.49) MLNRDRD2DRD3HTR6CYP2D6
SCHEMBL24800494 0.82 RORC (0.52) DRD2DRD3HTR6MEN1NPC1
SCHEMBL19377285 0.81 NAMPT (0.62) GHSRNAMPTRORCCYP2C9
SCHEMBL19377220 0.80 HSD17B10 (0.49) MLNRMEN1KMT2ANAMPTRORC
SCHEMBL19377218 0.80 HSD17B10 (0.49) MLNRMEN1KMT2ANAMPTRORC
SCHEMBL19377316 0.80 NAMPT (0.54) MEN1NPC1RAB9AKMT2ANAMPT
SCHEMBL19377663 0.80 HSD17B10 (0.49) MLNRMEN1KMT2ANAMPTRORC
SCHEMBL24801222 0.79 SCN3A (0.42) MLNRDRD2DRD3HTR6MEN1

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 MLNR 24/4885DRD2 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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