SCHEMBL3019949

SCHEMBL3019949

CC(C)c1cc(C(C)C)c(S(=O)(=O)C2CCN(c3nc(Cc4cc(F)cc(Cl)c4)cs3)CC2)c(C(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
FABP4 P15090 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RIPK1 Q13546 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
SCHEMBL3019281 0.95 HRH3 (0.35) HRH3FABP4ALDH1A1
SCHEMBL3009855 0.94 HRH3 (0.34) HRH3FABP4ALDH1A1
SCHEMBL3013690 0.88 FABP4 (0.37) HRH3FABP4CACNA1GCACNA1HCACNA1I
SCHEMBL3009892 0.87 CACNA1G (0.37) HRH3FABP4CACNA1GCACNA1HCACNA1I
SCHEMBL3013257 0.87 RIPK1 (0.33) HRH3RIPK1
SCHEMBL3016736 0.86 ALDH1A1 (0.37) FABP4CACNA1GCACNA1HCACNA1IALDH1A1
SCHEMBL3014593 0.86 CACNA1G (0.42) HRH3FABP4CACNA1GCACNA1HCACNA1I
SCHEMBL3004088 0.86 ALDH1A1 (0.35) HRH3FABP4ALDH1A1
SCHEMBL3018214 0.86 CACNA1G (0.37) HRH3FABP4CACNA1GCACNA1HCACNA1I
SCHEMBL3013495 0.85 DNM1L (0.33) HRH3RIPK1

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 HRH3 2846/4885FABP4 3254/4885CACNA1G 3093/4885

“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.