SCHEMBL3006774

SCHEMBL3006774

COc1ccc(OC)c(Cc2csc(N3CCC(S(=O)(=O)c4ccc(F)cc4Cl)CC3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.42
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
RECQL P46063 1/20 0.39
TP53 P04637 2/20 0.38
AR P10275 1/20 0.38
CCR3 P51677 2/20 0.37
THRB P10828 1/20 0.37
CCR5 P51681 1/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR6 P46095 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3009127 0.94 CTSS (0.42) CTSSMAPTLMNATDP1HSD17B10
SCHEMBL3021636 0.93 SMN1; SMN2 (0.37) CTSSMAPTLMNATDP1HSD17B10
SCHEMBL3008286 0.92 MAPT (0.41) MAPTLMNATDP1HSD17B10USP2
SCHEMBL3015119 0.91 CTSS (0.44) CTSSMAPTLMNATDP1HSD17B10
SCHEMBL3001183 0.91 RAB9A (0.35) CTSSMAPTLMNATDP1HSD17B10
SCHEMBL3015533 0.90 MAPT (0.41) MAPTLMNATDP1HSD17B10USP2
SCHEMBL3003638 0.90 CTSS (0.40) CTSSMAPTLMNAHSD17B10USP2
SCHEMBL2998519 0.89 CTSS (0.45) CTSSMAPTLMNATDP1HSD17B10
SCHEMBL3019361 0.88 RAB9A (0.39) MAPTLMNATDP1HSD17B10RECQL
SCHEMBL3014455 0.88 ALDH1A1 (0.37) MAPTLMNATDP1HSD17B10USP2

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 18/4885LMNA 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.