SCHEMBL3016776

SCHEMBL3016776

COc1ccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
GBA1 P04062 1/20 0.39
KDM4E B2RXH2 4/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
SMPD3 Q9NY59 1/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DNM1L O00429 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
SCHEMBL3002775 0.94 KDM4E (0.40) SMN1; SMN2RAB9ANPC1GBA1KDM4E
SCHEMBL3014450 0.94 KDM4E (0.41) SMN1; SMN2RAB9ANPC1KDM4ECYP2C9
SCHEMBL3013502 0.92 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1KDM4ECYP2C9
SCHEMBL3012971 0.92 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1KDM4EL3MBTL1
SCHEMBL3022985 0.92 KDM4E (0.37) SMN1; SMN2RAB9ANPC1KDM4ECYP2C9
SCHEMBL3014222 0.92 MAPT (0.43) SMN1; SMN2RAB9ANPC1KDM4ECYP2C9
SCHEMBL3115792 0.91 GBA1 (0.39) SMN1; SMN2RAB9ANPC1GBA1CYP2C9
SCHEMBL3018703 0.90 RAB9A (0.37) SMN1; SMN2RAB9ANPC1KDM4ECYP2C9
SCHEMBL3021907 0.90 KMT2A (0.43) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL3018931 0.89 KDM4E (0.39) SMN1; SMN2RAB9ANPC1KDM4ECYP2C9

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 1/4885RAB9A 2943/4885NPC1 15/4885

“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.