SCHEMBL12361825

SCHEMBL12361825

CCOC(=O)c1ccc(COc2cc3c(cc2N(CC(C)F)S(=O)(=O)c2nc(C)cs2)CCC3)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ CASP3 P42574 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.30
▸ NR3C1 P04150 1/20 0.30
▸ AR P10275 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 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
SCHEMBL12361918 0.92 MRGPRX4 (0.35) NPC1RAB9AMRGPRX4MEN1ALDH1A1
SCHEMBL1644355 0.88 NPC1 (0.31) NPC1RAB9AMEN1ALDH1A1LMNA
SCHEMBL12380413 0.88 NPC1 (0.33) NPC1RAB9A
SCHEMBL12361870 0.86 NPC1 (0.32) NPC1RAB9ACASP3ATMSENP8
SCHEMBL12361872 0.85 NPC1 (0.32) NPC1RAB9ACASP3ATMSENP8
SCHEMBL12361827 0.85 NPC1 (0.31) NPC1RAB9AATMMEN1ALDH1A1
SCHEMBL12361885 0.82 RXRB (0.41) NPC1RAB9A
SCHEMBL12361808 0.82 NPC1 (0.34) NPC1RAB9ATP53
SCHEMBL12361897 0.81 TRPM8 (0.34) NPC1RAB9AMRGPRX4
SCHEMBL1645421 0.81 TRPM8 (0.35) 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 3650/4885CASP3 4214/4885

“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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