SCHEMBL3017247

SCHEMBL3017247

Cc1ccccc1Cc1csc(N2CCC(S(=O)(=O)c3ccc(CBr)cc3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
HTR2A P28223 3/20 0.35
LMNA P02545 2/20 0.34
KCNH2 Q12809 2/20 0.34
HTR2C P28335 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
LTA4H P09960 1/20 0.33
DNM1L O00429 5/20 0.33
DCTPP1 Q9H773 1/20 0.32
MAPT P10636 1/20 0.32
FFAR1 O14842 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
SCHEMBL3013464 0.93 GBA1 (0.35) GBA1HTR2ALMNAKCNH2HTR2C
SCHEMBL3021138 0.91 GBA1 (0.39) GBA1HTR2ALMNAKCNH2HTR2C
SCHEMBL3002378 0.91 GBA1 (0.46) GBA1HTR2ALMNAKCNH2HTR2C
SCHEMBL3017315 0.90 GBA1 (0.36) GBA1HTR2ALMNAKCNH2HTR2C
SCHEMBL3017650 0.90 GBA1 (0.39) GBA1HTR2ALMNAKCNH2HTR2C
SCHEMBL3006046 0.89 GBA1 (0.37) GBA1LMNAKMT2ADNM1LMAPT
SCHEMBL3012981 0.89 KDM4E (0.41) GBA1HTR2ALMNAKCNH2HTR2C
SCHEMBL3005203 0.88 LTA4H (0.36) GBA1HTR2ALMNAKCNH2HTR2C
SCHEMBL3009833 0.88 HTR2A (0.43) GBA1HTR2ALMNAKCNH2HTR2C
SCHEMBL3024075 0.87 HSD11B1 (0.38) GBA1HTR2ALMNAMEN1MAPK1

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 4/4885HTR2A 752/4885LMNA 80/4885

“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.