SCHEMBL3000449

SCHEMBL3000449

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4c(F)cccc4F)CC3)n2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
AR P10275 2/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
F2RL3 Q96RI0 1/20 0.35
HTR7 P34969 1/20 0.35
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
USP2 O75604 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL3015290 0.91 AR (0.38) RAB9ASMN1; SMN2NPC1ARMAPT
SCHEMBL3006925 0.91 RAB9A (0.38) RAB9ASMN1; SMN2NPC1ARTP53
SCHEMBL3004414 0.89 MAPT (0.42) RAB9ASMN1; SMN2NPC1ARTP53
SCHEMBL3009607 0.88 MAPT (0.41) RAB9ASMN1; SMN2NPC1ARTP53
SCHEMBL3016542 0.88 TP53 (0.41) RAB9ASMN1; SMN2NPC1ARTP53
SCHEMBL3006347 0.88 MAPT (0.39) RAB9ASMN1; SMN2NPC1ARTP53
SCHEMBL3022973 0.87 AR (0.39) RAB9ASMN1; SMN2NPC1ARALDH1A1
SCHEMBL3007416 0.87 HTR6 (0.39) RAB9ASMN1; SMN2NPC1ARTP53
SCHEMBL3012971 0.87 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1ARTP53
SCHEMBL3021334 0.87 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2NPC1MAPTKDM4E

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-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA RAB9A 2943/4885SMN1; SMN2 1/4885NPC1 15/4885

“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.