SCHEMBL2263758

SCHEMBL2263758

CC(C)(O)c1cc(C(=O)O)cc(-c2ccc(F)cc2F)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.48
ALPL P05186 3/20 0.42
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
DHODH Q02127 3/20 0.38
TTR P02766 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DHFR P00374 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
ALB P02768 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
CXCL12 P48061 1/20 0.38

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
SCHEMBL2259475 0.78 KMO (0.52) KMOALPLKDM4AKDM5AKDM4C
SCHEMBL3071028 0.76 TTR (0.46) KMOKDM4AKDM5AKDM4CKDM5B
SCHEMBL2262383 0.75 KMO (0.50) KMOALPLKDM4AKDM5AKDM4C
SCHEMBL14975943 0.75 KMO (0.59) KMOKDM4AKDM5AKDM4CKDM5B
SCHEMBL2263395 0.74 KMO (0.46) KMOALPLKDM4AKDM5AKDM4C
SCHEMBL2344643 0.73 KMO (0.45) KMOALPLKDM4AKDM5AKDM4C
SCHEMBL2259170 0.72 CTRC (0.58) ALPLDHODHKDM4EALDH1A1HPGD
SCHEMBL12321675 0.71 KMO (0.49) KMOALPLDHODHKDM4EACMSD
SCHEMBL12321676 0.70 KMO (0.45) KMOALPLNPC1MAPTRAB9A
SCHEMBL4388622 0.69 P4HA1 (0.58) KMOALPLKDM4AKDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2860178-B1 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
CN-102271682-B Be used for the treatment of the P2X of pain 3receptor antagonist MERCK SHARP & DOHME CORP. (US) 2015-12-16 CN disclosed
EP-2860178-A2 P2X3 receptor antagonists for treatment of pain Merck Sharp & Dohme Corp. (US) 2015-04-15 EP disclosed
EP-2358371-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2015-02-11 EP disclosed
US-8598209-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-12-03 US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
EP-2358371-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
WO-2010051188-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-05-06 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 (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-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 KMO 1678/4885ALPL 3150/4885KDM4A 3472/4885

“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.