SCHEMBL12361870

SCHEMBL12361870

CCOC(=O)c1cnc(COc2cc3c(cc2N(C[C@H](C)F)S(=O)(=O)c2nc(C)cs2)CCC3)nc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP3 P42574 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ SENP8 Q96LD8 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL12361962 0.92 TRPM8 (0.34) NPC1RAB9A
SCHEMBL1644355 0.87 NPC1 (0.31) NPC1RAB9A
SCHEMBL12380779 0.87 NPC1 (0.30) NPC1RAB9A
SCHEMBL12361827 0.87 NPC1 (0.31) NPC1RAB9AATM
SCHEMBL12774655 0.86 NPC1 (0.31) NPC1RAB9A
SCHEMBL12361825 0.86 NPC1 (0.33) NPC1RAB9AKDM4EMAPTMAPK1
SCHEMBL12361872 0.85 NPC1 (0.32) NPC1RAB9AMAPTCASP3ATM
SCHEMBL1645082 0.83 RAB9A (0.35) NPC1RAB9AKDM4EMAPT
SCHEMBL12380141 0.82 NPC1 (0.31) NPC1RAB9A
SCHEMBL12361961 0.82 NPC1 (0.33) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314240-B2 Sulfonamide compounds or salts thereof ASTELLAS PHARMA INC. (JP) 2012-11-20 — — US disclosed
US-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2011-08-18 — — US 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-20110201616-A1 SULFONAMIDE COMPOUNDS OR SALTS THEREOF PTGER1, PTGER2, GPER1 NPC1 3550/4885RAB9A 3650/4885KDM4E 3127/4885

“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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