SCHEMBL3018931

SCHEMBL3018931

COc1ccc(S(=O)(=O)C2CCN(c3nc(Cc4ccc(C)c(C)c4)cs3)CC2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
AVPR1B P47901 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CMA1 P23946 1/20 0.35
F2RL3 Q96RI0 4/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL3014450 0.94 KDM4E (0.41) KDM4ESMN1; SMN2RAB9AMAPTNPC1
SCHEMBL3002775 0.91 KDM4E (0.40) KDM4EHTTPOLBTSHRSMN1; SMN2
SCHEMBL3012725 0.89 AVPR1B (0.40) KDM4EHTTSMN1; SMN2RAB9AMAPT
SCHEMBL3016776 0.89 SMN1; SMN2 (0.39) KDM4EHTTPOLBSMN1; SMN2RAB9A
SCHEMBL3002803 0.89 KDM4E (0.48) KDM4EHTTSMN1; SMN2RAB9AMAPT
SCHEMBL3012800 0.89 KDM4E (0.40) KDM4EHTTPOLBTSHRSMN1; SMN2
SCHEMBL3004076 0.89 KDM4E (0.38) KDM4ESMN1; SMN2RAB9AMAPTNPC1
SCHEMBL3005141 0.89 HTT (0.39) KDM4EHTTPOLBTSHRSMN1; SMN2
SCHEMBL3021664 0.89 ERBB2 (0.40) KDM4ESMN1; SMN2RAB9AMAPTNPC1
SCHEMBL3017082 0.89 GAA (0.40) KDM4EHTTPOLBTSHRSMN1; SMN2

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 4398/4885HTT 2/4885POLB 4649/4885

“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.