SCHEMBL19377046

SCHEMBL19377046

CC(NC(=O)Nc1ccc(S(=O)(=O)Cc2ccc3c(c2)CN(C)C3)cc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ NAMPT P43490 6/20 0.43
▸ DRD2 P14416 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RORC P51449 5/20 0.38
▸ MLNR O43193 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ ROCK2 O75116 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
SCHEMBL19377329 0.87 DRD2 (0.42) NAMPTDRD2HTR2AHTR2CDRD3
SCHEMBL19377183 0.84 HSD17B10 (0.48) EPHX2NAMPTCA12CA1CA2
SCHEMBL19377210 0.84 HSD17B10 (0.48) EPHX2NAMPTCA12CA1CA2
SCHEMBL19377317 0.84 HSD17B10 (0.48) EPHX2NAMPTCA12CA1CA2
SCHEMBL19377287 0.83 RORC (0.45) NAMPTDRD2HTR2AHTR2CDRD3
SCHEMBL24800632 0.83 CNR1 (0.47) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL24800201 0.83 ROCK2 (0.47) NAMPTDRD2HTR2AHTR2CDRD3
SCHEMBL19377221 0.82 NPC1 (0.46) EPHX2NAMPTDRD2HTR2AHTR2C
SCHEMBL19377546 0.82 CNR1 (0.48) MLNRCA1CA2ROCK2
SCHEMBL19377503 0.82 ROCK2 (0.41) NAMPTDRD2HTR2AHTR2CDRD3

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 EPHX2 2879/4885NAMPT 3742/4885DRD2 4443/4885

“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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