SCHEMBL3016061

SCHEMBL3016061

Cc1ccc(S(=O)(=O)C2CCN(c3nc(Cc4cc(C)cc(C)c4)cs3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DNM1L O00429 12/20 0.39
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 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
SCHEMBL3014535 0.93 DNM1L (0.38) GBA1SMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL3020257 0.93 MAPT (0.38) GBA1SMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL3019220 0.93 SMN1; SMN2 (0.40) GBA1SMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL3017469 0.93 GBA1 (0.45) GBA1SMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL3020329 0.92 DNM1L (0.37) GBA1SMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL3013097 0.92 GBA1 (0.42) GBA1SMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL3012528 0.91 DNM1L (0.37) GBA1SMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL3013102 0.91 GBA1 (0.41) GBA1SMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL2997684 0.91 GBA1 (0.43) GBA1SMN1; SMN2KMT2AALDH1A1CYP1A2
SCHEMBL3013538 0.90 KMT2A (0.40) GBA1SMN1; SMN2KMT2AALDH1A1CYP1A2

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 GBA1 4/4885SMN1; SMN2 1/4885KMT2A 2680/4885

“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.