SCHEMBL348138

SCHEMBL348138

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ELANE P08246 3/20 0.39
PLAU P00749 1/20 0.39
ACSS2 Q9NR19 1/20 0.36
TLR7 Q9NYK1 6/20 0.36
CYP11B2 P19099 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR8 Q9NR97 2/20 0.35
NR4A2 P43354 1/20 0.34
HTR7 P34969 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL347825 0.88 CYP11B2 (0.36) RAB9ANPC1ACSS2CYP11B2
SCHEMBL347407 0.83 ELANE (0.45) RAB9AELANEPLAUSMN1; SMN2NR4A2
SCHEMBL348515 0.81 ELANE (0.44) RAB9AELANEPLAUSMN1; SMN2NR4A2
SCHEMBL346684 0.76 DGAT2 (0.45) DGAT2
SCHEMBL13011165 0.71 PLAU (0.47) RAB9AELANEPLAUSMN1; SMN2HTR7
SCHEMBL15687568 0.69 KDM4E (0.46) ELANEPLAUSMN1; SMN2NR4A2HTR7
SCHEMBL30204298 0.65 NPC1 (0.54) NPC1SMN1; SMN2HSD17B10
SCHEMBL348252 0.65 TDP1 (0.46) RAB9ADGAT2HSD17B10
SCHEMBL20166406 0.65 DGAT2 (0.47) DGAT2
SCHEMBL7984355 0.63 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 RAB9A 3699/4885NPC1 3891/4885ELANE 1535/4885

“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.