SCHEMBL3016319

SCHEMBL3016319

Cc1cc(C)cc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.40
CHRM4 P08173 1/20 0.37
AVPR1B P47901 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KIT P10721 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
EPHX2 P34913 2/20 0.35
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.35
DNM1L O00429 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
GBA1 P04062 1/20 0.35
GRIN2B Q13224 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
EPHX1 P07099 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
SCHEMBL3019380 0.92 LIPE (0.38) LIPECHRM4AVPR1BKITEPHX2
SCHEMBL3016941 0.92 LIPE (0.44) LIPECHRM4AVPR1BEPHX2HTR2A
SCHEMBL3013530 0.90 RAB9A (0.36) LIPECHRM4AVPR1BFFAR4HTR2A
SCHEMBL3018098 0.90 FFAR4 (0.39) LIPECHRM4AVPR1BFFAR4KIT
SCHEMBL3015985 0.90 LIPE (0.37) LIPECHRM4AVPR1BKITHTR2A
SCHEMBL3019431 0.90 LIPE (0.39) LIPECHRM4AVPR1BHTR2AHTR6
SCHEMBL3011689 0.90 LIPE (0.37) LIPECHRM4AVPR1BFFAR4KIT
SCHEMBL3000034 0.89 AVPR1B (0.42) LIPECHRM4AVPR1BEPHX2HTR2A
SCHEMBL3006609 0.89 AVPR1B (0.40) LIPEAVPR1BEPHX2
SCHEMBL3018194 0.88 HTR2A (0.39) LIPEAVPR1BHTR2ABCHEACHE

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 LIPE 2030/4885CHRM4 4476/4885AVPR1B 4478/4885

“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.