SCHEMBL19377077

SCHEMBL19377077

C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C3)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.51
▸ DRD2 P14416 2/20 0.51
▸ DRD3 P35462 2/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR6 P50406 1/20 0.51
▸ ROCK2 O75116 3/20 0.49
▸ NAMPT P43490 3/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ GFER P55789 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ ABCB1 P08183 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ MTOR P42345 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL19377040 1.00 IDH1 (0.52) IDH1HSD17B10DRD2DRD3HTR2A
SCHEMBL19377375 0.92 ROCK2 (0.55) IDH1HSD17B10DRD2DRD3HTR2A
SCHEMBL19377378 0.92 ROCK2 (0.55) IDH1HSD17B10DRD2DRD3HTR2A
SCHEMBL19377360 0.85 HSD17B10 (0.52) IDH1HSD17B10DRD2DRD3HTR2A
SCHEMBL19377210 0.83 HSD17B10 (0.48) IDH1HSD17B10ROCK2NAMPTCYP2C9
SCHEMBL19377183 0.83 HSD17B10 (0.48) IDH1HSD17B10ROCK2NAMPTCYP2C9
SCHEMBL19377317 0.83 HSD17B10 (0.48) IDH1HSD17B10ROCK2NAMPTCYP2C9
SCHEMBL19377048 0.82 ROCK2 (0.66) HSD17B10ROCK2NAMPTMTORMEN1
SCHEMBL19377195 0.80 DRD2 (0.53) IDH1DRD2DRD3HTR2AHTR2C
SCHEMBL19377153 0.80 DRD2 (0.51) DRD2DRD3HTR2AHTR2CHTR6

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 IDH1 2402/4885HSD17B10 2852/4885DRD2 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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