SCHEMBL23387331

SCHEMBL23387331

O=C(O)Cc1ccc(N2CCS(O)(O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.57
ITGA2B P08514 5/20 0.57
POLB P06746 2/20 0.53
NSD2 O96028 1/20 0.53
GRK2 P25098 1/20 0.53
CASP6 P55212 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
QPCT Q16769 1/20 0.51
KLKB1 P03952 1/20 0.47
CTSB P07858 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PTGER4 P35408 1/20 0.46
CA2 P00918 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
ME2 P23368 2/20 0.43
ME1 P48163 2/20 0.43
ME3 Q16798 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
AKR1B1 P15121 1/20 0.42

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
SCHEMBL20424646 0.87 KDM4E (0.63) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL1065084 0.82 ITGB3 (0.64) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL2285282 0.82 ITGB3 (0.64) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL2371447 0.81 ITGB3 (0.63) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL2282564 0.81 ITGB3 (0.62) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL13855699 0.81 ITGB3 (0.62) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL2649726 0.79 ITGB3 (0.60) ITGB3ITGA2BPOLBNSD2GRK2
Hydrochloric Acid SCHEMBL9679970 0.79 ITGB3 (0.60) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL24059106 0.78 ITGB3 (0.58) ITGB3ITGA2BPOLBNSD2GRK2
SCHEMBL4541029 0.78 ITGB3 (0.59) ITGB3ITGA2BPOLBNSD2GRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS NIPPON CHEMIPHAR CO., LTD. (JP) 2022-07-21 US disclosed
EP-3950059-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS Nippon Chemiphar Co., Ltd. (JP) 2022-02-09 EP disclosed
EP-3825303-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nippon Chemiphar Co., Ltd. (JP) 2021-05-26 EP 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-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 ITGB3 1361/4885ITGA2B 2489/4885POLB 3318/4885

“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.