SCHEMBL347407

SCHEMBL347407

COC(=O)c1ccc2c(Br)nn(-c3ccsc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.45
PLAU P00749 1/20 0.41
NR4A2 P43354 1/20 0.36
HTR7 P34969 1/20 0.36
FGFR1 P11362 1/20 0.36
DGAT2 Q96PD7 2/20 0.35
NOTUM Q6P988 1/20 0.35
LCK P06239 1/20 0.35
JMJD6 Q6NYC1 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
XDH P47989 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALOX15 P16050 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL348515 0.84 ELANE (0.44) ELANEPLAUNR4A2HTR7FGFR1
SCHEMBL348138 0.83 RAB9A (0.40) ELANEPLAUNR4A2HTR7DGAT2
SCHEMBL348252 0.82 TDP1 (0.46) DGAT2ALOX15HTTLMNAKDM4E
SCHEMBL20166406 0.81 DGAT2 (0.47) DGAT2
SCHEMBL7426182 0.76 ALDH1A1 (0.43) ELANEFGFR1NOTUMLCKJMJD6
SCHEMBL29950049 0.76 ALDH1A1 (0.43) ELANEFGFR1NOTUMLCKJMJD6
SCHEMBL13011165 0.74 PLAU (0.47) ELANEPLAUHTR7FGFR1HTT
SCHEMBL347829 0.73 KDM4E (0.42) ELANEFGFR1DGAT2NOTUMLCK
SCHEMBL347794 0.72 TDP1 (0.46) ELANEFGFR1ALOX15HTTLMNA
SCHEMBL31632866 0.72 NOTUM (0.42) ELANEFGFR1NOTUMLCKJMJD6

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 3 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
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US 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 3918/4885NR4A2 460/4885

“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.