SCHEMBL6404062

SCHEMBL6404062

CCC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NCC#N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
TRPV1 Q8NER1 6/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.35
PDE10A Q9Y233 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALPL P05186 2/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
ACACB O00763 1/20 0.33
MMP2 P08253 1/20 0.32
MMP13 P45452 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
SCHEMBL6404069 1.00 CYP1A2 (0.38) CYP1A2TRPV1KMT2ARAB9APDE10A
SCHEMBL6609609 0.92 CYP1A2 (0.39) CYP1A2TRPV1KMT2ARAB9APDE10A
SCHEMBL6609601 0.92 CYP1A2 (0.39) CYP1A2TRPV1KMT2ARAB9APDE10A
SCHEMBL6607764 0.88 MMP2 (0.38) CYP1A2KMT2ARAB9APDE10AKDM4E
SCHEMBL6607771 0.88 MMP2 (0.38) CYP1A2KMT2ARAB9APDE10AKDM4E
SCHEMBL6403781 0.87 CYP1A2 (0.36) CYP1A2TRPV1KMT2ARAB9APDE10A
SCHEMBL6400334 0.87 CYP1A2 (0.38) CYP1A2KMT2ARAB9APDE10AKDM4E
SCHEMBL6400327 0.87 CYP1A2 (0.38) CYP1A2KMT2ARAB9APDE10AKDM4E
SCHEMBL6403783 0.86 MMP2 (0.34) CYP1A2TRPV1KMT2ARAB9APDE10A
Hydrochloric Acid SCHEMBL6399825 0.85 CYP1A2 (0.37) CYP1A2TRPV1KMT2ARAB9APDE10A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999732-B2 P2X3 receptor antagonists RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2024-06-04 US disclosed
US-20210246139-A1 P2X3 RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2021-08-12 US disclosed
CN-112584898-A P2X3Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2021-03-30 CN disclosed
US-10844459-B2 Process for extracting and recovering tantalum present in an acid aqueous phase by means of an ionic liquid, and use of such an ionic liquid for extracting the tantalum from an acid aqueous phase CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-11-24 US disclosed
EP-3334846-B1 PROCESSES FOR EXTRACTING AND RECOVERING TANTALUM PRESENT IN AN ACID AQUEOUS PHASE BY MEANS OF AN IONIC LIQUID, AND USE OF SUCH AN IONIC LIQUID FOR EXTRACTING THE TANTALUM FROM AN ACID AQUEOUS PHASE CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO 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 (4 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-20210246139-A1 P2X3 RECEPTOR ANTAGONISTS P2RX3, P2RX5, P2RX2 CYP1A2 1123/4885TRPV1 12/4885KMT2A 4283/4885
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 CYP1A2 1075/4885TRPV1 1431/4885KMT2A 2661/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CYP1A2 909/4885TRPV1 1857/4885KMT2A 2906/4885
US-11999732-B2 P2X3 receptor antagonists P2RX3, P2RX5, P2RX2 CYP1A2 1123/4885TRPV1 12/4885KMT2A 4283/4885

“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.