SCHEMBL19377309

SCHEMBL19377309

CC(NC(=O)Nc1ccc(S(=O)(=O)Cc2ccc(CO)cc2)cc1)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.49
▸ EPHX2 P34913 2/20 0.47
▸ NAMPT P43490 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RORC P51449 1/20 0.41
▸ BMP1 P13497 1/20 0.41

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
SCHEMBL19377027 0.88 IDH1 (0.58) IDH1EPHX2NAMPTOPRM1OPRD1
SCHEMBL19377453 0.85 POLB (0.42) NAMPTLMNARORC
SCHEMBL19377454 0.84 NAMPT (0.40) IDH1NAMPTLMNARORC
SCHEMBL19377456 0.84 NAMPT (0.40) IDH1NAMPTLMNARORC
SCHEMBL19377472 0.84 IDH1 (0.46) IDH1EPHX2OPRM1OPRD1OPRK1
SCHEMBL19377528 0.83 HSD17B10 (0.58) IDH1EPHX2NAMPTRORC
SCHEMBL19377527 0.83 HSD17B10 (0.58) IDH1EPHX2NAMPTRORC
SCHEMBL19377222 0.83 IDH1 (0.47) IDH1EPHX2OPRM1OPRD1OPRK1
SCHEMBL24800613 0.81 IDH1 (0.48) IDH1EPHX2OPRM1OPRD1OPRK1
SCHEMBL14025747 0.78 EPHX2 (0.58) IDH1EPHX2OPRM1OPRD1OPRK1

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 IDH1 2402/4885EPHX2 2879/4885NAMPT 3742/4885

“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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