SCHEMBL346715

SCHEMBL346715

CC(O)C(C)n1nc(-c2ccc(F)cc2F)c2cc(C(=O)O)sc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAPT P10636 6/20 0.43
TP53 P04637 3/20 0.43
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
MAPK13 O15264 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
CHEK2 O96017 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL347970 0.86 KDM4E (0.42) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL348103 0.81 DGAT2 (0.42) LMNAMAPTTP53KDM4EALDH1A1
SCHEMBL366472 0.81 DGAT2 (0.42) LMNAMAPTTP53KDM4EALDH1A1
SCHEMBL347512 0.72 LMNA (0.44) LMNAMAPTTP53KDM4EALDH1A1
SCHEMBL4486371 0.69 ALDH1A1 (0.70) LMNAMAPTTP53KDM4EALDH1A1
SCHEMBL348066 0.68 PIM1 (0.42) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31617400 0.62 KCNH2 (0.39) FGFR1KDRMAPK9CSNK1DGSK3A
SCHEMBL15947003 0.61 GRIA2 (0.41) LMNAMAPTTP53KDM4EALDH1A1
SCHEMBL2246560 0.61 HSD17B1 (0.60) LMNATP53KDM4EALDH1A1GAA
SCHEMBL16703315 0.61 HDAC1 (0.54) LMNAKDM4EALDH1A1HPGDHSD17B10

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-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
EP-2411001-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
WO-2010111060-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 LMNA 4068/4885MAPT 4011/4885TP53 4726/4885

“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.