SCHEMBL3015290

SCHEMBL3015290

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4c(F)cccc4F)CC3)n2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
F2RL3 Q96RI0 7/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 2/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
F2 P00734 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL3000449 0.91 RAB9A (0.39) ARALDH1A1F2RL3NPC1RAB9A
SCHEMBL3004144 0.90 ALDH1A1 (0.39) ARALDH1A1GAAMAPK1F2RL3
SCHEMBL3006347 0.89 MAPT (0.39) ARALDH1A1MAPK1F2RL3NPC1
SCHEMBL3021483 0.88 GPR6 (0.40) ARALDH1A1GAAMAPK1NPC1
SCHEMBL3004414 0.87 MAPT (0.42) ARALDH1A1GAAMAPK1F2RL3
SCHEMBL3020517 0.87 ALDH1A1 (0.41) ARALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL3009607 0.86 MAPT (0.41) ARALDH1A1MAPK1F2RL3NPC1
SCHEMBL3012860 0.86 AR (0.41) ARNPC1RAB9ASMN1; SMN2PKM
SCHEMBL3013151 0.86 GPR6 (0.40) ARALDH1A1GAAMAPK1F2RL3
SCHEMBL3018628 0.86 AR (0.40) ARALDH1A1MAPK1NPC1RAB9A

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 AR 3801/4885ALDH1A1 3510/4885GAA 110/4885

“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.