SCHEMBL3000443

SCHEMBL3000443

COc1cccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
HSD17B10 Q99714 3/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 7/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.39
ADORA2A P29274 1/20 0.38
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
PTPRB P23467 1/20 0.37
GPR6 P46095 1/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL3011387 0.94 ALDH1A1 (0.41) MAPTHSD17B10USP2RECQLALDH1A1
SCHEMBL3005269 0.92 MEN1 (0.38) MAPTHSD17B10USP2RECQLMEN1
SCHEMBL3017435 0.90 POLB (0.43) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL3012372 0.90 MAPT (0.42) MAPTHSD17B10USP2RECQLALDH1A1
SCHEMBL3014608 0.89 MAPT (0.51) MAPTHSD17B10USP2RECQLALDH1A1
SCHEMBL3022002 0.89 NPBWR1 (0.38) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3014556 0.89 MAPT (0.42) MAPTHSD17B10USP2RECQLALDH1A1
SCHEMBL3003985 0.89 LMNA (0.45) MAPTHSD17B10USP2RECQLALDH1A1
SCHEMBL3010946 0.88 MAPT (0.41) MAPTHSD17B10USP2RECQLALDH1A1
SCHEMBL3015351 0.88 MAPT (0.39) MAPTHSD17B10USP2RECQLALDH1A1

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 MAPT 18/4885HSD17B10 2553/4885USP2 1831/4885

“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.