SCHEMBL3017451

SCHEMBL3017451

O=S(=O)(c1cccc(Cl)c1)C1CCN(c2nc(Cc3ccc(F)c(Cl)c3)cs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
HTR2A P28223 2/20 0.34
NPC1 O15118 2/20 0.34
CTSS P25774 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GRM5 P41594 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 1/20 0.33
GPR6 P46095 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
SOS1 Q07889 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
SCHEMBL3004452 0.94 GPR6 (0.39) RAB9ASMN1; SMN2PKMPKLRHTR2A
SCHEMBL3013571 0.94 RAB9A (0.38) RAB9ASMN1; SMN2PKMPKLRHTR2A
SCHEMBL3013066 0.94 RAB9A (0.39) RAB9ASMN1; SMN2HTR2ANPC1CTSS
SCHEMBL3001750 0.93 RAB9A (0.39) RAB9ASMN1; SMN2HTR2ANPC1GAA
SCHEMBL3017605 0.93 MAPT (0.35) RAB9ASMN1; SMN2HTR2ANPC1CTSS
SCHEMBL3009255 0.93 HTR2A (0.37) RAB9ASMN1; SMN2PKMPKLRHTR2A
SCHEMBL3003569 0.92 SOS1 (0.35) RAB9ASMN1; SMN2PKMPKLRHTR2A
SCHEMBL3016518 0.91 CTSS (0.43) RAB9ANPC1CTSSGAAMAPT
SCHEMBL3016860 0.90 L3MBTL1 (0.36) RAB9ASMN1; SMN2PKMPKLRHTR2A
SCHEMBL3011357 0.90 L3MBTL1 (0.36) RAB9ASMN1; SMN2PKMPKLRHTR2A

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 RAB9A 2943/4885SMN1; SMN2 1/4885PKM 1047/4885

“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.