SCHEMBL3012034

SCHEMBL3012034

O=S(=O)(c1ccccc1Cl)C1CCN(c2nc(Cc3cccc(Br)c3)cs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.43
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.35
NR3C1 P04150 1/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 1/20 0.34
DNM1L O00429 1/20 0.33
CCR4 P51679 1/20 0.33
HTR2A P28223 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
SCHEMBL3012307 0.94 CTSS (0.42) CTSSRAB9ASMN1; SMN2KMT2ANR3C1
SCHEMBL3013907 0.93 CTSS (0.38) CTSSRAB9ASMN1; SMN2KMT2ANR3C1
SCHEMBL3007871 0.91 CTSS (0.37) CTSSRAB9ASMN1; SMN2KMT2ANR3C1
SCHEMBL3011745 0.91 RAB9A (0.36) CTSSRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3000401 0.91 CTSS (0.41) CTSSRAB9ASMN1; SMN2KMT2ANR3C1
SCHEMBL3009754 0.90 CTSS (0.45) CTSSRAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL3011076 0.90 CTSS (0.42) CTSSRAB9ASMN1; SMN2DNM1L
SCHEMBL3012276 0.89 CTSS (0.47) CTSSRAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL3019472 0.89 CTSS (0.36) CTSSRAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL3009939 0.89 CTSS (0.42) CTSSRAB9ASMN1; SMN2KMT2ANPC1

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.