SCHEMBL3014929

SCHEMBL3014929

COc1ccc(Cl)cc1S(=O)(=O)C1CCN(c2nc(Cc3ccc(C)cc3)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 3/20 0.37
CPT1A P50416 5/20 0.37
CPT1B Q92523 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALPL P05186 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 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
SCHEMBL3018474 0.96 MAPT (0.40) MAPK1HTTTP53RAB9AKDM4E
SCHEMBL3007820 0.93 ALDH1A1 (0.41) MAPK1HTTTP53RAB9AKDM4E
SCHEMBL3018358 0.93 HTT (0.39) MAPK1HTTTP53RAB9AKDM4E
SCHEMBL3016285 0.93 MAPK1 (0.39) MAPK1HTTTP53RAB9AKDM4E
SCHEMBL3007108 0.92 TDP1 (0.42) MAPK1HTTTP53RAB9AKDM4E
SCHEMBL3019226 0.92 TP53 (0.39) MAPK1HTTTP53RAB9AKDM4E
SCHEMBL3006331 0.92 TP53 (0.40) MAPK1HTTTP53RAB9AKDM4E
SCHEMBL3003698 0.92 CYP3A4 (0.39) MAPK1HTTTP53RAB9AKDM4E
SCHEMBL3016811 0.92 MAPK1 (0.38) MAPK1HTTTP53RAB9AKDM4E
SCHEMBL3022242 0.91 MAPK1 (0.38) MAPK1HTTTP53RAB9AKDM4E

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 MAPK1 2767/4885HTT 2/4885TP53 2880/4885

“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.