SCHEMBL19377377

SCHEMBL19377377

COc1ccc(C(C)NC(=O)Nc2ccc3c(c2)CC(c2ccc4c(c2)CNC4)S3(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.46
▸ ITGA2B P08514 6/20 0.46
▸ CNR1 P21554 2/20 0.40
▸ ITGA2 P17301 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ C5 P01031 1/20 0.35

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
SCHEMBL19377374 0.92 ITGB3 (0.46) ITGB3ITGA2BCNR1ITGA2RAB9A
SCHEMBL24800223 0.91 ITGB3 (0.38) ITGB3ITGA2BCNR1RAB9ANPC1
SCHEMBL19377382 0.90 HSD17B10 (0.43) ITGB3ITGA2BC5
SCHEMBL19398891 0.82 ACACB (0.42) C5
SCHEMBL19377385 0.81 HSD17B10 (0.43) ITGB3ITGA2BC5
SCHEMBL19377140 0.78 ROCK2 (0.46) C5
SCHEMBL19406960 0.77 ITGB3 (0.41) ITGB3ITGA2BKMT2A
SCHEMBL19406920 0.76 ITGB3 (0.36) ITGB3ITGA2BPOLB
SCHEMBL19377141 0.74 JAK3 (0.46) ITGB3ITGA2BRAB9ANPC1
SCHEMBL19377036 0.71 HSD17B10 (0.42) ITGB3ITGA2BITGA2C5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390355-B1 BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2022-12-28 — — EP claimed
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2017-09-28 — — US claimed
EP-3390355-B1 BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2022-12-28 — — EP disclosed
EP-3390355-B1 BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2022-12-28 — — EP 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
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 ITGB3 4595/4885ITGA2B 4377/4885CNR1 122/4885

“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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