SCHEMBL3000034

SCHEMBL3000034

CCc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 3/20 0.42
LIPE Q05469 2/20 0.37
KDM2B Q8NHM5 1/20 0.36
EPHX2 P34913 2/20 0.36
HTR2A P28223 1/20 0.36
CHRM4 P08173 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL3018509 0.94 AVPR1B (0.42) AVPR1BLIPEKDM2BEPHX2HTR2A
SCHEMBL3017798 0.94 AVPR1B (0.40) AVPR1BLIPEKDM2BEPHX2HTR2A
SCHEMBL3006609 0.94 AVPR1B (0.40) AVPR1BLIPEEPHX2OXTRAVPR1A
SCHEMBL3016941 0.94 LIPE (0.44) AVPR1BLIPEEPHX2HTR2ACHRM4
SCHEMBL3015610 0.92 PSEN1 (0.38) AVPR1BLIPEEPHX2HTR2ACHRM4
SCHEMBL3018194 0.92 HTR2A (0.39) AVPR1BLIPEHTR2AMMP2MMP9
SCHEMBL3011689 0.90 LIPE (0.37) AVPR1BLIPEEPHX2HTR2ACHRM4
SCHEMBL3016319 0.89 LIPE (0.40) AVPR1BLIPEKDM2BEPHX2HTR2A
SCHEMBL3006121 0.89 LIPE (0.36) AVPR1BLIPEEPHX2HTR2ACHRM4
SCHEMBL3013530 0.89 RAB9A (0.36) AVPR1BLIPEHTR2ACHRM4MMP2

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 AVPR1B 4478/4885LIPE 2030/4885KDM2B 4152/4885

“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.