SCHEMBL3012822

SCHEMBL3012822

Cc1cc(C)c(Cc2csc(N3CCC(S(=O)(=O)c4ccccc4C#N)CC3)n2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
CTSS P25774 10/20 0.37
DNM1L O00429 3/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL3018488 0.93 DRD2 (0.41) DRD2HTR2AHTR2CKCNH2CTSS
SCHEMBL3017397 0.90 DRD2 (0.42) DRD2HTR2AHTR2CKCNH2CTSS
SCHEMBL3016424 0.88 DRD2 (0.42) DRD2HTR2AHTR2CKCNH2CTSS
SCHEMBL3016702 0.88 DRD2 (0.42) DRD2HTR2AHTR2CKCNH2CTSS
SCHEMBL3008762 0.88 DRD2 (0.41) DRD2HTR2AHTR2CKCNH2CTSS
SCHEMBL3011738 0.87 DRD2 (0.41) DRD2HTR2AHTR2CKCNH2CTSS
SCHEMBL3003859 0.87 DRD2 (0.41) DRD2HTR2AHTR2CKCNH2CTSS
SCHEMBL3004391 0.86 CTSS (0.40) CTSSDNM1LSMN1; SMN2
SCHEMBL3015218 0.86 CTSS (0.41) CTSSDNM1LSMN1; SMN2
SCHEMBL3011781 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTR6

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 DRD2 573/4885HTR2A 752/4885HTR2C 1153/4885

“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.