SCHEMBL2999503

SCHEMBL2999503

Cc1cccc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(F)cc4F)CC3)n2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.37
CTSS P25774 1/20 0.36
HTR2A P28223 5/20 0.35
HTR2C P28335 5/20 0.35
KCNH2 Q12809 5/20 0.35
NAAA Q02083 5/20 0.35
DRD2 P14416 3/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL3019500 0.93 HTR2A (0.38) GPR6CTSSHTR2AHTR2CKCNH2
SCHEMBL3013137 0.92 NAAA (0.36) CTSSNAAAMAPK1LMNAMAPT
SCHEMBL3006835 0.92 CTSS (0.46) CTSSHTR2AHTR2CKCNH2NAAA
SCHEMBL3006174 0.90 GPR6 (0.39) GPR6CTSSHTR2AHTR2CKCNH2
SCHEMBL3013735 0.88 GPR6 (0.39) GPR6HTR2AHTR2CKCNH2DRD2
SCHEMBL3001734 0.88 SMN1; SMN2 (0.40) GPR6HTR2AHTR2CKCNH2DRD2
SCHEMBL3014613 0.87 GPR6 (0.38) GPR6CTSSHTR2AHTR2CKCNH2
SCHEMBL3016734 0.87 AR (0.40) MAPK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL3006131 0.86 GPR6 (0.40) GPR6CTSSHTR2AHTR2CKCNH2
SCHEMBL3013261 0.86 ALDH1A1 (0.47) MAPK1LMNAMAPTSMN1; SMN2MEN1

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 GPR6 4245/4885CTSS 106/4885HTR2A 752/4885

“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.