SCHEMBL19377311

SCHEMBL19377311

CC(NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)CNC3)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.55
▸ ROCK2 O75116 3/20 0.52
▸ MTOR P42345 1/20 0.50
▸ ITGB3 P05106 3/20 0.49
▸ ITGA2B P08514 3/20 0.49
▸ ITGA2 P17301 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MELK Q14680 1/20 0.47
▸ F2 P00734 2/20 0.47
▸ F7 P08709 2/20 0.47
▸ F10 P00742 1/20 0.47

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
SCHEMBL19377048 0.84 ROCK2 (0.66) HSD17B10ROCK2MTORMEN1KMT2A
SCHEMBL19377360 0.82 HSD17B10 (0.52) HSD17B10MTORITGB3ITGA2BMEN1
SCHEMBL531914 0.81 NPC1 (0.66) ITGB3ITGA2MELK
SCHEMBL19377663 0.78 HSD17B10 (0.49) HSD17B10MTORITGB3ITGA2BMEN1
SCHEMBL19377218 0.78 HSD17B10 (0.49) HSD17B10MTORITGB3ITGA2BMEN1
SCHEMBL19377220 0.78 HSD17B10 (0.49) HSD17B10MTORITGB3ITGA2BMEN1
SCHEMBL19377382 0.77 HSD17B10 (0.43) HSD17B10ROCK2MTORITGB3ITGA2B
SCHEMBL19377385 0.77 HSD17B10 (0.43) HSD17B10ROCK2MTORITGB3ITGA2B
SCHEMBL19377243 0.76 IDH1 (0.48) HSD17B10MTORITGB3ITGA2B
SCHEMBL19377007 0.76 IDH1 (0.48) HSD17B10MTORITGB3ITGA2B

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 HSD17B10 2852/4885ROCK2 4208/4885MTOR 1169/4885

“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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