SCHEMBL3013284

SCHEMBL3013284

COc1ccc(Cl)cc1S(=O)(=O)C1CCN(c2nc(Cc3cc(OC)c(OC)c(OC)c3)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 2/20 0.37
MAPT P10636 4/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
CPT1A P50416 5/20 0.36
CPT1B Q92523 4/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3014619 0.94 CYP3A4 (0.39) CYP3A4CYP2C19CYP2C9TP53ALDH1A1
SCHEMBL3006331 0.94 TP53 (0.40) CYP3A4CYP2C19TP53ALDH1A1KDM4E
SCHEMBL3015458 0.92 MAPT (0.36) CYP3A4CYP2C19CYP2C9TP53ALDH1A1
SCHEMBL3019226 0.92 TP53 (0.39) CYP3A4CYP2C19TP53ALDH1A1KDM4E
SCHEMBL3018474 0.92 MAPT (0.40) CYP3A4CYP2C19TP53ALDH1A1KDM4E
SCHEMBL3013816 0.91 TP53 (0.38) CYP3A4CYP2C19TP53ALDH1A1KDM4E
SCHEMBL3016285 0.91 MAPK1 (0.39) CYP3A4CYP2C19TP53ALDH1A1KDM4E
SCHEMBL15671702 0.91 MAPT (0.42) CYP3A4CYP2C19TP53ALDH1A1KDM4E
SCHEMBL3017542 0.90 ALDH1A1 (0.43) ALDH1A1HPGDRAB9AMAPK1MAPT
SCHEMBL3007108 0.90 TDP1 (0.42) TP53ALDH1A1KDM4EPOLBHPGD

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 CYP3A4 4794/4885CYP2C19 4845/4885CYP2C9 4880/4885

“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.