SCHEMBL3001246

SCHEMBL3001246

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4ccc(Br)cc4Cl)CC3)n2)cc(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2RL3 Q96RI0 6/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
F2 P00734 1/20 0.32
USP2 O75604 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL2999691 0.93 RAB9A (0.37) CTSSRAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3004553 0.93 MAPT (0.40) CTSSSMN1; SMN2DRD2DRD4DRD3
SCHEMBL2999478 0.91 CTSS (0.36) CTSSRAB9ASMN1; SMN2F2RL3MAPT
SCHEMBL3017066 0.90 DRD2 (0.35) CTSSSMN1; SMN2DRD2DRD4DRD3
SCHEMBL3019060 0.90 CTSS (0.43) CTSSRAB9ASMN1; SMN2F2RL3MAPT
SCHEMBL3002528 0.89 CTSS (0.35) CTSSRAB9ASMN1; SMN2MAPTLMNA
SCHEMBL3015773 0.89 GAA (0.38) RAB9ASMN1; SMN2F2RL3DRD2DRD4
SCHEMBL3010750 0.89 CTSS (0.40) CTSSRAB9ASMN1; SMN2F2RL3MAPT
SCHEMBL3015154 0.89 HCRTR1 (0.38) CTSSRAB9ASMN1; SMN2
SCHEMBL3019701 0.88 DRD2 (0.37) CTSSRAB9ASMN1; SMN2DRD2DRD4

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 106/4885RAB9A 2943/4885SMN1; SMN2 1/4885

“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.