SCHEMBL3021334

SCHEMBL3021334

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)n2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
F2RL3 Q96RI0 8/20 0.36
KDM4E B2RXH2 4/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NTSR1 P30989 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3012843 0.91 SMN1; SMN2 (0.37) SMN1; SMN2MAPTRAB9ANPC1F2RL3
SCHEMBL3009905 0.90 ALDH1A1 (0.38) SMN1; SMN2F2RL3KDM4E
SCHEMBL3006118 0.89 RAB9A (0.40) SMN1; SMN2MAPTRAB9ANPC1F2RL3
SCHEMBL3016776 0.88 SMN1; SMN2 (0.39) SMN1; SMN2MAPTRAB9ANPC1KDM4E
SCHEMBL3006925 0.88 RAB9A (0.38) SMN1; SMN2MAPTRAB9ANPC1F2RL3
SCHEMBL3016255 0.88 DNM1L (0.35) SMN1; SMN2RAB9ANPC1
SCHEMBL3016483 0.88 SMN1; SMN2 (0.39) SMN1; SMN2MAPTRAB9ANPC1CYP2C9
SCHEMBL3014450 0.87 KDM4E (0.41) SMN1; SMN2MAPTRAB9ANPC1F2RL3
SCHEMBL3015787 0.87 MAPT (0.41) SMN1; SMN2MAPTF2RL3RECQL
SCHEMBL3000449 0.87 RAB9A (0.39) SMN1; SMN2MAPTRAB9ANPC1F2RL3

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 1/4885MAPT 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.