SCHEMBL3012895

SCHEMBL3012895

Cc1cccc(C)c1Cc1csc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 9/20 0.48
PKLR P30613 5/20 0.48
AR P10275 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 3/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.39

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
SCHEMBL3010166 0.93 PKM (0.45) PKMPKLRARALDH1A1SMN1; SMN2
SCHEMBL3015942 0.92 ALDH1A1 (0.42) PKMPKLRARALDH1A1SMN1; SMN2
SCHEMBL3001237 0.90 PKM (0.46) PKMPKLRARALDH1A1SMN1; SMN2
SCHEMBL3016034 0.89 PKM (0.45) PKMPKLRARALDH1A1SMN1; SMN2
SCHEMBL3008940 0.88 MEN1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL3014241 0.88 NPSR1 (0.44) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL3011037 0.87 PKM (0.47) PKMPKLRARALDH1A1SMN1; SMN2
SCHEMBL3007418 0.87 ALDH1A1 (0.60) PKMALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL3007546 0.86 ALDH1A1 (0.47) PKMPKLRARALDH1A1SMN1; SMN2
SCHEMBL3017054 0.86 MEN1 (0.38) PKMPKLRARALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
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 PKM 1047/4885PKLR 2799/4885AR 3801/4885

“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.