SCHEMBL3006941

SCHEMBL3006941

O=S(=O)(c1ccccc1C(F)(F)F)C1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.55
MAPT P10636 5/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CTSS P25774 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
FFAR2 O15552 1/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3015543 0.92 CTSS (0.48) KDM1AMAPTNPC1RAB9ACYP1A2
SCHEMBL3009173 0.92 MEN1 (0.52) MAPTNPC1RAB9ACTSSSMN1; SMN2
SCHEMBL3015833 0.90 SMN1; SMN2 (0.53) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL3010123 0.90 CTSS (0.45) KDM1AMAPTNPC1RAB9ACYP1A2
SCHEMBL3008583 0.90 AR (0.51) KDM1AMAPTNPC1RAB9ACTSS
SCHEMBL3013619 0.89 CTSS (0.47) KDM1AMAPTNPC1RAB9ACYP1A2
SCHEMBL3008706 0.88 CTSS (0.45) KDM1AMAPTNPC1RAB9ACYP1A2
SCHEMBL3016817 0.88 CTSS (0.45) KDM1AMAPTNPC1RAB9ACTSS
SCHEMBL3005503 0.88 MEN1 (0.48) KDM1AMAPTNPC1RAB9ACTSS
SCHEMBL3002212 0.88 MAPT (0.58) MAPTNPC1RAB9ACTSSSMN1; 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 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 KDM1A 3548/4885MAPT 18/4885NPC1 15/4885

“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.