SCHEMBL19377261

SCHEMBL19377261

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ MMP2 P08253 1/20 0.47
▸ GHSR Q92847 1/20 0.46
▸ MLNR O43193 7/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ RORC P51449 3/20 0.41
▸ SCN3A Q9NY46 1/20 0.40
▸ CYP2D6 P10635 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL19377663 0.88 HSD17B10 (0.49) CA12CA1CA2CA9MLNR
SCHEMBL19377220 0.88 HSD17B10 (0.49) CA12CA1CA2CA9MLNR
SCHEMBL19377218 0.88 HSD17B10 (0.49) CA12CA1CA2CA9MLNR
SCHEMBL24800214 0.87 CNR1 (0.48) MLNRDRD2DRD3HTR6RORC
SCHEMBL24801222 0.87 SCN3A (0.42) CA12CA1CA2CA9MMP2
SCHEMBL19377593 0.86 MLNR (0.49) MLNRDRD2DRD3HTR6CYP2D6
SCHEMBL30162665 0.86 MLNR (0.49) MLNRDRD2DRD3HTR6CYP2D6
SCHEMBL19377205 0.86 MLNR (0.45) CA12CA1CA2CA9MMP2
SCHEMBL19377223 0.86 NAMPT (0.46) MLNRDRD2DRD3HTR6NAMPT
SCHEMBL19377434 0.86 MMP2 (0.46) MMP2GHSRMLNRDRD2DRD3

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 CA12 2421/4885CA1 2101/4885CA2 1681/4885

“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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