SCHEMBL3012274

SCHEMBL3012274

COc1cccc(Cc2csc(N3CCC(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.43
MAPT P10636 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
PTPRB P23467 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38
KCNQ1 P51787 1/20 0.38
SCD O00767 1/20 0.38
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
IDO1 P14902 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
SCHEMBL3010917 0.93 CTSS (0.43) CTSSMAPTKCNQ1SCD
SCHEMBL3008339 0.91 CTSS (0.45) CTSSMAPTALDH1A1PTGDR2KCNQ1
SCHEMBL3015294 0.89 CTSS (0.45) CTSSSCDTP53
SCHEMBL3002244 0.89 CTSS (0.42) CTSSMAPTKCNQ1SCDTP53
SCHEMBL3017170 0.88 CTSS (0.45) CTSSSCD
SCHEMBL3001422 0.88 CTSS (0.47) CTSSMEN1KMT2ASCD
SCHEMBL3006777 0.87 MAPT (0.44) CTSSMAPTHSD17B10ALDH1A1LMNA
SCHEMBL3011673 0.87 MAPT (0.42) CTSSMAPTHSD17B10ALDH1A1LMNA
SCHEMBL3005445 0.87 CTSS (0.42) CTSSMAPTLMNAMEN1KMT2A
SCHEMBL3006262 0.87 CTSS (0.42) CTSSMAPTLMNAMEN1KMT2A

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 CTSS 106/4885MAPT 18/4885HSD17B10 2553/4885

“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.