SCHEMBL3066007

SCHEMBL3066007

COC(=O)c1cc(C(=O)O)cc(-c2ccc(C)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
KDM6B O15054 1/20 0.48
KDM5C P41229 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM2A Q9Y2K7 1/20 0.48
KDM3A Q9Y4C1 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LDHA P00338 2/20 0.42
ATM Q13315 1/20 0.42
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CCR1 P32246 1/20 0.41

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
SCHEMBL1495784 0.94 TDP1 (0.49) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1495762 0.90 LDHA (0.50) KDM4ERAB9ANPC1SMN1; SMN2LDHA
SCHEMBL7947936 0.89 CNR2 (0.48) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3058393 0.86 BAZ2B (0.48) TDP1ATMP2RX3P2RX2NR1I2
SCHEMBL3069110 0.86 TDP1 (0.41) TDP1MAPK1L3MBTL1RAB9AATM
SCHEMBL1495521 0.86 CA12 (0.51) KDM4ETDP1MAPK1L3MBTL1RAB9A
SCHEMBL3067384 0.85 NR1I2 (0.41) TDP1RAB9AATMALPLPOLB
SCHEMBL1495743 0.85 RXFP1 (0.45) TDP1RAB9ANPC1SMN1; SMN2ATM
SCHEMBL14781025 0.85 TDP1 (0.42) KDM4ETDP1MAPK1RAB9ANPC1
SCHEMBL310982 0.85 ATAD2 (0.51) KDM4ETDP1MAPK1L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
EP-2215049-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2010-08-11 EP disclosed
WO-2009058298-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-05-07 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 KDM4E 4010/4885KDM6B 4264/4885KDM5C 4092/4885

“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.