SCHEMBL454330

SCHEMBL454330

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
GPR35 Q9HC97 3/20 0.41
POLB P06746 2/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
NR4A2 P43354 1/20 0.38
MAP4K4 O95819 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
ADORA2A P29274 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
GRM2 Q14416 1/20 0.36
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36
HPSE Q9Y251 2/20 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
SCHEMBL454487 0.87 RAB9A (0.45) RAB9APOLBGRM2GCGRMAPK14
SCHEMBL451479 0.81 GPR35 (0.41) RAB9AGPR35BCL2L1BADNR4A2
SCHEMBL452218 0.79 RAB9A (0.39) RAB9APOLBMEN1NPC1KMT2A
SCHEMBL24821766 0.70 MTNR1A (0.38) RAB9ARARARARBRARG
SCHEMBL18096010 0.68 CYP1A2 (0.40) RAB9ABCL2L1BADNR4A2ADORA2A
SCHEMBL450145 0.68 PTGS1 (0.41) RAB9AGRM2GCGRMAPK14MEN1
SCHEMBL456082 0.68 ABL1 (0.46) BCL2L1BADNR4A2MAP4K4GRM2
SCHEMBL24821779 0.67 RAB9A (0.48) RAB9APOLBMEN1NPC1KMT2A
SCHEMBL22672413 0.66 MAPT (0.58) POLB
SCHEMBL18096293 0.66 DHODH (0.43) RAB9AADORA2AMEN1NPC1KMT2A

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 RAB9A 3699/4885GPR35 92/4885POLB 4302/4885

“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.