SCHEMBL2999776

SCHEMBL2999776

O=S(=O)(c1ccc(OC(F)(F)F)cc1)C1CCN(c2nc(-c3cc(F)cc(Cl)c3)cs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 7/20 0.41
MAPT P10636 3/20 0.41
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LIPE Q05469 2/20 0.40
NPC1 O15118 5/20 0.39
MAPK1 P28482 3/20 0.39
ALOX5 P09917 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36
AR P10275 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 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
SCHEMBL3015050 0.96 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL3019207 0.94 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL3003639 0.90 MAPT (0.50) SMN1; SMN2L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL3010362 0.89 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL3017962 0.89 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL3018590 0.88 ALOX5 (0.48) SMN1; SMN2L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL3003974 0.88 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL3003827 0.87 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL3015759 0.87 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL3011984 0.87 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1ALDH1A1RAB9AMAPT

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 SMN1; SMN2 1/4885L3MBTL1 1847/4885ALDH1A1 3510/4885

“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.