SCHEMBL3020316

SCHEMBL3020316

Cc1cccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.35
HSD11B1 P28845 2/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 6/20 0.33
DNM1L O00429 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BRS3 P32247 1/20 0.32

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
SCHEMBL3024075 0.93 HSD11B1 (0.38) GBA1HSD11B1KMT2ALMNAMEN1
SCHEMBL3021393 0.91 GBA1 (0.42) GBA1NPC1RAB9AKMT2ALMNA
SCHEMBL3015354 0.90 HSD11B1 (0.36) GBA1HSD11B1NPC1RAB9AKMT2A
SCHEMBL3013182 0.90 LMNA (0.37) GBA1NPC1RAB9AKMT2ALMNA
SCHEMBL3001734 0.89 SMN1; SMN2 (0.40) GBA1NPC1RAB9AKMT2ALMNA
SCHEMBL3015608 0.89 SMN1; SMN2 (0.38) GBA1NPC1RAB9AKMT2ALMNA
SCHEMBL3013464 0.88 GBA1 (0.35) GBA1NPC1RAB9AKMT2ALMNA
SCHEMBL3010815 0.87 KMT2A (0.40) GBA1NPC1RAB9AKMT2ALMNA
SCHEMBL3015376 0.86 LIPE (0.36) GBA1NPC1RAB9AMAPT
SCHEMBL3008086 0.86 GBA1 (0.37) GBA1HSD11B1NPC1RAB9AKMT2A

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 4/4885HSD11B1 1034/4885NPC1 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.