SCHEMBL3017972

SCHEMBL3017972

O=S(=O)(c1ccccc1Br)C1CCN(c2nc(Cc3ccc(Cl)c(F)c3)cs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CCR1 P32246 1/20 0.34
NAAA Q02083 4/20 0.34
DRD4 P21917 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LDHA P00338 2/20 0.33
FPR2 P25090 2/20 0.33
PROKR1 Q8TCW9 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM2 Q14416 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
SCHEMBL3016171 0.93 CTSS (0.38) CTSSSMN1; SMN2NPC1RAB9ACCR1
SCHEMBL3018723 0.92 CTSS (0.40) CTSSSMN1; SMN2NPC1RAB9ACCR1
SCHEMBL3013544 0.92 CTSS (0.39) CTSSSMN1; SMN2NPC1RAB9ANAAA
SCHEMBL3018515 0.92 CTSS (0.39) CTSSSMN1; SMN2RAB9ACCR1NAAA
SCHEMBL3012060 0.89 CTSS (0.41) CTSSSMN1; SMN2NPC1RAB9ACCR1
SCHEMBL3012591 0.88 CTSS (0.43) CTSSMEN1KMT2A
SCHEMBL3010972 0.88 CTSS (0.36) CTSSSMN1; SMN2NPC1RAB9AFPR2
SCHEMBL3010009 0.87 HTR2A (0.45) CTSSSMN1; SMN2NPC1RAB9A
SCHEMBL3009836 0.87 CTSS (0.41) CTSSSMN1; SMN2NPC1RAB9ACCR1
SCHEMBL3013730 0.87 CTSS (0.41) CTSSSMN1; SMN2NPC1RAB9ACCR1

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 106/4885SMN1; SMN2 1/4885NPC1 15/4885

“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.