SCHEMBL348515

SCHEMBL348515

C=C(C)c1nn(-c2ccsc2)c2cc(C(=O)OC)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.44
PLAU P00749 2/20 0.44
F2 P00734 1/20 0.36
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
NR4A2 P43354 1/20 0.35
HTR7 P34969 1/20 0.35
DGAT2 Q96PD7 2/20 0.35
FGFR1 P11362 1/20 0.34
LCK P06239 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL347407 0.84 ELANE (0.45) ELANEPLAUNR4A2HTR7DGAT2
SCHEMBL348138 0.81 RAB9A (0.40) ELANEPLAUNR4A2HTR7DGAT2
SCHEMBL13011165 0.72 PLAU (0.47) ELANEPLAUF2HTR7FGFR1
SCHEMBL15687568 0.69 KDM4E (0.46) ELANEPLAUNR4A2HTR7FGFR1
SCHEMBL347825 0.68 CYP11B2 (0.36) FGFR1LCKKDM4ERAB9A
SCHEMBL28469651 0.68 ALDH1A1 (0.44) ELANEPLAUF2FGFR1LCK
SCHEMBL348252 0.66 TDP1 (0.46) DGAT2KDM4EMEN1ALDH1A1LMNA
SCHEMBL1964180 0.66 SCN9A (0.47) ELANEPLAUMAPT
SCHEMBL20166406 0.65 DGAT2 (0.47) DGAT2
SCHEMBL7984355 0.64 DGAT2 (0.48) DGAT2

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 ELANE 1535/4885PLAU 3918/4885F2 4681/4885

“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.