SCHEMBL3013816

SCHEMBL3013816

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4cc(Cl)ccc4OC)CC3)n2)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
F2RL3 Q96RI0 4/20 0.37
F2 P00734 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CPT1A P50416 3/20 0.36
CPT1B Q92523 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL3006331 0.94 TP53 (0.40) TP53ALDH1A1HPGDRAB9AKDM4E
SCHEMBL3007820 0.93 ALDH1A1 (0.41) TP53ALDH1A1HPGDRAB9AKDM4E
SCHEMBL15671703 0.93 MAPT (0.40) TP53ALDH1A1HPGDRAB9AKDM4E
SCHEMBL3017410 0.92 MAPT (0.36) TP53ALDH1A1HPGDRAB9AKDM4E
SCHEMBL15671708 0.92 ALDH1A1 (0.44) ALDH1A1HPGDRAB9APOLBMAPT
SCHEMBL3018474 0.92 MAPT (0.40) TP53ALDH1A1HPGDRAB9AKDM4E
SCHEMBL3013284 0.91 CYP3A4 (0.39) TP53ALDH1A1HPGDRAB9AKDM4E
SCHEMBL3016285 0.91 MAPK1 (0.39) TP53ALDH1A1HPGDRAB9AKDM4E
SCHEMBL15671702 0.91 MAPT (0.42) TP53ALDH1A1HPGDRAB9AKDM4E
SCHEMBL2999478 0.90 CTSS (0.36) ALDH1A1HPGDRAB9AMAPK1MAPT

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 TP53 2880/4885ALDH1A1 3510/4885HPGD 2894/4885

“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.