SCHEMBL451479

SCHEMBL451479

CC(C)(C)c1nc2cc(C(=O)O)cc(-c3ccc(F)cc3)c2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.41
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
GRM2 Q14416 3/20 0.38
NR4A2 P43354 1/20 0.38
MAP4K4 O95819 1/20 0.38
DHODH Q02127 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
ADORA2A P29274 1/20 0.37
S1PR1 P21453 1/20 0.36
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36
NR1I2 O75469 1/20 0.35
KCNH2 Q12809 1/20 0.35
ELANE P08246 1/20 0.35
HPSE Q9Y251 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL450145 0.87 PTGS1 (0.41) GRM2GCGRMAPK14MEN1NPC1
SCHEMBL454330 0.81 RAB9A (0.45) GPR35BCL2L1BADGRM2NR4A2
SCHEMBL455089 0.76 DGAT2 (0.43)
SCHEMBL454487 0.68 RAB9A (0.45) GRM2GCGRMAPK14MEN1NPC1
SCHEMBL8691535 0.67 ELANE (0.44) DHODHELANEMEN1KMT2A
SCHEMBL18096247 0.66 DHODH (0.44) DHODHADORA2AMEN1NPC1RAB9A
SCHEMBL18798661 0.65 GRM2 (0.57) GRM2CSNK2A2CSNK2BNR1I2KCNH2
SCHEMBL27640008 0.65 BCL2L1 (0.50) GPR35BCL2L1BADNR4A2MAP4K4
SCHEMBL730762 0.64 CTRC (0.60) BCL2L1BADNR4A2DHODHADORA2A
SCHEMBL2745136 0.64 BCL2L1 (0.58) BCL2L1BADNR4A2MAP4K4GCGR

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
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 GPR35 92/4885BCL2L1 3209/4885BAD 821/4885

“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.