SCHEMBL2997798

SCHEMBL2997798

O=S(=O)(c1ccccc1Cl)C1CCN(c2nc(Cc3cc(Cl)cc(Cl)c3)cs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.43
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ACLY P53396 1/20 0.35
NPC1 O15118 4/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.34
FAAH O00519 1/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
NAAA Q02083 1/20 0.34
FFAR2 O15552 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL3006165 0.94 CTSS (0.40) CTSSRAB9ASMN1; SMN2ACLYNPC1
SCHEMBL3018013 0.92 CTSS (0.44) CTSSRAB9ASMN1; SMN2ACLYNPC1
SCHEMBL3019999 0.92 CTSS (0.43) CTSSRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3009754 0.92 CTSS (0.45) CTSSRAB9ASMN1; SMN2NPC1FAAH
SCHEMBL3013316 0.91 CTSS (0.41) CTSSRAB9ASMN1; SMN2NPC1FAAH
SCHEMBL3003634 0.91 CTSS (0.41) CTSSRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3013730 0.90 CTSS (0.41) CTSSRAB9ASMN1; SMN2ACLYNPC1
SCHEMBL3009939 0.90 CTSS (0.42) CTSSRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3006085 0.90 GAA (0.38) RAB9ASMN1; SMN2ACLYGAAMAPT
SCHEMBL3015043 0.90 GAA (0.40) CTSSRAB9ASMN1; SMN2ACLYGAA

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.