SCHEMBL2998044

SCHEMBL2998044

Cc1ccccc1-c1csc(N2CCC(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 3/20 0.40
KMT2A Q03164 2/20 0.40
HSD11B1 P28845 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
GBA1 P04062 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 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
SCHEMBL3017109 0.92 AR (0.40) SMN1; SMN2NPC1RAB9AL3MBTL1AR
SCHEMBL3009928 0.90 GBA1 (0.48) SMN1; SMN2NPC1RAB9AL3MBTL1AR
SCHEMBL3013806 0.89 RAB9A (0.41) SMN1; SMN2NPC1RAB9AKMT2AHSD11B1
SCHEMBL3012134 0.89 AR (0.55) SMN1; SMN2NPC1RAB9AARKMT2A
SCHEMBL2998605 0.88 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AL3MBTL1AR
SCHEMBL3003584 0.88 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AL3MBTL1AR
SCHEMBL3011699 0.88 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AARKMT2A
SCHEMBL3001893 0.88 AR (0.45) SMN1; SMN2NPC1RAB9AL3MBTL1AR
SCHEMBL3017641 0.87 LMNA (0.55) SMN1; SMN2NPC1RAB9AL3MBTL1AR
SCHEMBL3001088 0.86 MAPT (0.52) SMN1; SMN2NPC1RAB9AARKMT2A

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 1/4885NPC1 15/4885RAB9A 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.