SCHEMBL3013530

SCHEMBL3013530

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)n2)cc(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AVPR1B P47901 1/20 0.36
TP53 P04637 1/20 0.35
LIPE Q05469 2/20 0.35
HCRTR1 O43613 4/20 0.35
F2RL3 Q96RI0 2/20 0.35
CHRM4 P08173 1/20 0.35
HTR2A P28223 1/20 0.35
HCRTR2 O43614 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MAPK7 Q13164 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
SCHEMBL3006609 0.93 AVPR1B (0.40) RAB9ASMN1; SMN2MAPTAVPR1BTP53
SCHEMBL3017993 0.93 MAPT (0.41) RAB9ASMN1; SMN2MAPTUSP2RECQL
SCHEMBL3010282 0.91 CSNK1D (0.38) SMN1; SMN2MAPTAVPR1BLIPEHCRTR1
SCHEMBL3016319 0.90 LIPE (0.40) AVPR1BLIPECHRM4HTR2AMMP2
SCHEMBL3019431 0.90 LIPE (0.39) MAPTUSP2RECQLHSD17B10AVPR1B
SCHEMBL3015985 0.90 LIPE (0.37) AVPR1BLIPECHRM4HTR2AMMP2
SCHEMBL3021608 0.89 MAPT (0.45) RAB9ASMN1; SMN2MAPTUSP2RECQL
SCHEMBL3013307 0.89 KDM4E (0.40) RAB9ASMN1; SMN2AVPR1BHCRTR1HCRTR2
SCHEMBL3000034 0.89 AVPR1B (0.42) AVPR1BLIPECHRM4HTR2AMMP2
SCHEMBL3003810 0.88 GBA1 (0.40) RAB9ASMN1; SMN2MAPTUSP2RECQL

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 1/4885MAPT 18/4885

“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.