SCHEMBL3021664

SCHEMBL3021664

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.40
EPHA2 P29317 4/20 0.40
KDR P35968 3/20 0.39
EPHB4 P54760 3/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
EP300 Q09472 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AVPR1B P47901 1/20 0.36
TP53 P04637 1/20 0.35
HTR7 P34969 1/20 0.35
MEN1 O00255 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
SCHEMBL3007183 0.97 ERBB2 (0.39) ERBB2EPHA2KDREPHB4KDM4E
SCHEMBL3014450 0.93 KDM4E (0.41) KDM4ESMN1; SMN2NPC1MAPTRAB9A
SCHEMBL3005904 0.93 ALDH1A1 (0.39) ERBB2EPHA2KDM4ESMN1; SMN2NPC1
SCHEMBL3008376 0.93 KDM4E (0.37) ERBB2EPHA2KDREPHB4KDM4E
SCHEMBL3017082 0.91 GAA (0.40) KDM4ESMN1; SMN2NPC1MAPTRAB9A
SCHEMBL3007606 0.90 KDM4E (0.40) KDM4ESMN1; SMN2NPC1MAPTRAB9A
SCHEMBL3013801 0.90 L3MBTL1 (0.39) ERBB2EPHA2SMN1; SMN2MAPTCYP2C9
SCHEMBL3014222 0.90 MAPT (0.43) KDM4ESMN1; SMN2NPC1MAPTRAB9A
SCHEMBL3014002 0.89 ALDH1A1 (0.38) KDM4ESMN1; SMN2NPC1MAPTRAB9A
SCHEMBL3018931 0.89 KDM4E (0.39) KDM4ESMN1; SMN2NPC1MAPTRAB9A

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 ERBB2 3807/4885EPHA2 4810/4885KDR 4770/4885

“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.