SCHEMBL3000939

SCHEMBL3000939

O=S(=O)(c1cccc(C(F)(F)F)c1)C1CCN(c2nc(Cc3ccc(Cl)cc3Cl)cs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CCR2 P41597 3/20 0.39
CCR1 P32246 1/20 0.39
CCR4 P51679 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
AR P10275 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
HTR6 P50406 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ELOVL6 Q9H5J4 1/20 0.36
RAB9A P51151 2/20 0.35
PPARG P37231 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3010140 0.90 RAB9A (0.41) EPHX2KDM1AMAPTARHTR6
SCHEMBL3013043 0.90 CTSS (0.45) CTSSCCR2KDM1AKDM4EMAPT
SCHEMBL3014120 0.89 EPHX2 (0.44) CTSSCCR2CCR1EPHX2AR
SCHEMBL3019531 0.89 CTSS (0.46) CTSSKDM1AKDM4EMAPTAR
SCHEMBL3006111 0.87 HTT (0.50) KDM4EHTTSMN1; SMN2POLBLMNA
SCHEMBL3015087 0.87 EPHX2 (0.38) EPHX2KDM1AMAPTARTRPV1
SCHEMBL3016518 0.87 CTSS (0.43) CTSSKDM1AKDM4EMAPTAR
SCHEMBL3016859 0.86 CTSS (0.44) CTSSCCR2CCR1CCR4KDM1A
SCHEMBL3003808 0.86 EPHX2 (0.46) EPHX2MAPTARTRPV1RAB9A
SCHEMBL3018929 0.86 EPHX2 (0.42) EPHX2MAPTARTRPV1RAB9A

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 106/4885CCR2 1448/4885CCR1 3107/4885

“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.