SCHEMBL3013307

SCHEMBL3013307

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)n2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
PTGER1 P34995 1/20 0.37
MCHR1 Q99705 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
AVPR1B P47901 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HCRTR1 O43613 6/20 0.35
HCRTR2 O43614 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
SSTR5 P35346 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 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
SCHEMBL3010282 0.92 CSNK1D (0.38) KDM4EMCHR1SMN1; SMN2AVPR1BHCRTR1
SCHEMBL3006609 0.91 AVPR1B (0.40) SMN1; SMN2RAB9AAVPR1BEPHX2LMNA
SCHEMBL3013530 0.89 RAB9A (0.36) KDM4ESMN1; SMN2RAB9AAVPR1BHCRTR1
SCHEMBL3012971 0.89 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2RAB9AHCRTR1HCRTR2
SCHEMBL3014450 0.89 KDM4E (0.41) KDM4ESMN1; SMN2RAB9AAVPR1BCYP3A4
SCHEMBL3017993 0.89 MAPT (0.41) MCHR1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3007253 0.89 KDM4E (0.37) KDM4EMCHR1SMN1; SMN2RAB9ALMNA
SCHEMBL3011689 0.88 LIPE (0.37) AVPR1BEPHX2TRPM8
SCHEMBL3000034 0.88 AVPR1B (0.42) AVPR1BEPHX2TRPM8
SCHEMBL3016776 0.88 SMN1; SMN2 (0.39) KDM4ESMN1; SMN2RAB9AAVPR1BCYP3A4

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 KDM4E 4398/4885PTGER1 3900/4885MCHR1 3574/4885

“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.