SCHEMBL3016528

SCHEMBL3016528

COc1ccc(-c2csc(N3CCC(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 3/20 0.56
MAPT P10636 7/20 0.54
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 6/20 0.50
NPC1 O15118 3/20 0.50
AR P10275 1/20 0.48
USP2 O75604 2/20 0.47
HSD17B10 Q99714 2/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 4/20 0.47
MAPK1 P28482 4/20 0.47
ALOX15 P16050 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSS P25774 1/20 0.45
TP53 P04637 3/20 0.45
HTT P42858 2/20 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
SCHEMBL3017314 0.93 MAPT (0.49) KCNQ1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3003380 0.92 MAPT (0.57) KCNQ1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3016854 0.91 KCNQ1 (0.47) KCNQ1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3019382 0.90 SMN1; SMN2 (0.51) KCNQ1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3012496 0.90 SMN1; SMN2 (0.52) KCNQ1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3017305 0.89 AR (0.56) KCNQ1RAB9ASMN1; SMN2NPC1AR
SCHEMBL3009367 0.88 KDM1A (0.56) KCNQ1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3002488 0.88 MAPT (0.59) KCNQ1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3016389 0.88 AR (0.47) KCNQ1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3006123 0.88 REV1 (0.49) KCNQ1MAPTRAB9ASMN1; SMN2ALDH1A1

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 KCNQ1 2702/4885MAPT 18/4885RAB9A 2943/4885

“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.