SCHEMBL3015436

SCHEMBL3015436

Cc1cc(C)c(Cc2csc(N3CCC(S(=O)(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.35
RAB9A P51151 1/20 0.35
SCD O00767 2/20 0.34
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ADRB2 P07550 1/20 0.33
HTR6 P50406 1/20 0.33
CRHR1 P34998 1/20 0.33

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
SCHEMBL3012889 0.89 ALDH1A1 (0.39) EPHX2ALDH1A1L3MBTL1MEN1TSHR
SCHEMBL3010157 0.89 MEN1 (0.47) EPHX2ALDH1A1L3MBTL1MEN1TSHR
SCHEMBL3015699 0.89 EPHX2 (0.35) EPHX2ALDH1A1L3MBTL1MEN1TSHR
SCHEMBL2998196 0.88 MEN1 (0.38) EPHX2ALDH1A1L3MBTL1MEN1TSHR
SCHEMBL3009061 0.87 KMT2A (0.38) EPHX2ALDH1A1L3MBTL1MEN1TSHR
SCHEMBL3015218 0.86 CTSS (0.41) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL3021689 0.86 MEN1 (0.39) ALDH1A1L3MBTL1MEN1TSHRKMT2A
SCHEMBL3003881 0.85 MEN1 (0.41) ALDH1A1L3MBTL1MEN1TSHRKMT2A
SCHEMBL3010474 0.85 MEN1 (0.41) ALDH1A1L3MBTL1MEN1TSHRKMT2A
SCHEMBL3021241 0.85 CHRM5 (0.35) EPHX2MEN1KMT2AHCRTR1HCRTR2

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 EPHX2 4409/4885ALDH1A1 3510/4885L3MBTL1 1847/4885

“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.