SCHEMBL3010813

SCHEMBL3010813

Cc1cccc(C)c1-c1csc(N2CCC(S(=O)(=O)c3ccccc3C#N)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.42
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39

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
SCHEMBL3004409 0.93 DRD2 (0.41) CTSSDRD2HTR2AHTR2CKCNH2
SCHEMBL3014996 0.90 SMN1; SMN2 (0.42) CTSSDRD2HTR2AHTR2CKCNH2
SCHEMBL3011706 0.90 SMN1; SMN2 (0.41) CTSSDRD2HTR2AHTR2CKCNH2
SCHEMBL3017477 0.86 SMN1; SMN2 (0.53) MEN1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL3011288 0.86 LMNA (0.52) CTSSKCNH2MEN1LMNAMAPK1
SCHEMBL3006246 0.86 SMN1; SMN2 (0.43) CTSSDRD2HTR2AHTR2CKCNH2
SCHEMBL3013543 0.86 SMN1; SMN2 (0.44) CTSSDRD2HTR2AHTR2CKCNH2
SCHEMBL3001999 0.86 KMT2A (0.43) CTSSDRD2HTR2AHTR2CKCNH2
SCHEMBL3022490 0.85 AR (0.53) CTSSDRD2HTR2AHTR2CKCNH2
SCHEMBL3002322 0.85 CTSS (0.43) CTSSMEN1LMNAMAPK1KMT2A

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 106/4885DRD2 573/4885HTR2A 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.