SCHEMBL440891

SCHEMBL440891

CC(Oc1cnc(C(=O)O)cc1-c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
KMO O15229 3/20 0.41
RORC P51449 1/20 0.40
PTGS2 P35354 1/20 0.39
CNR2 P34972 3/20 0.38
DHODH Q02127 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
SLC6A9 P48067 1/20 0.36
PDE5A O76074 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
P2RX3 P56373 1/20 0.36

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
SCHEMBL411031 1.00 MAP4K4 (0.44) MAP4K4PTGDR2KMORORCPTGS2
SCHEMBL411019 0.81 MAP4K4 (0.38) MAP4K4PTGDR2KMORORCPTGS2
SCHEMBL440826 0.80 PTGDR2 (0.50) MAP4K4PTGDR2KMOCNR2
SCHEMBL411891 0.78 MAP4K4 (0.49) MAP4K4PTGDR2KMOPTGS2CNR2
SCHEMBL411573 0.77 NPC1 (0.45) CNR2
SCHEMBL444341 0.77 NPC1 (0.45) CNR2
SCHEMBL411490 0.77 KMO (0.41) KMORORCDHODHGABRA5P2RX3
SCHEMBL439869 0.77 CNR1 (0.48) MAP4K4PTGS2
SCHEMBL410515 0.77 CNR1 (0.48) MAP4K4PTGS2
SCHEMBL439158 0.77 KMO (0.41) KMORORCDHODHGABRA5P2RX3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
EP-2651895-B1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2015-07-01 EP disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8669254-B2 Pyridine, pyridazine, pyrimidine or pyrazine carboxamides as HDL-cholesterol raising agents HOFFMAN-LA ROCHE INC. (US) 2014-03-11 US disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 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 (3 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR MAP4K4 4374/4885PTGDR2 2386/4885KMO 2423/4885
US-20120157476-A1 OXIME COMPOUNDS APOB, APOL1, PON1 MAP4K4 3549/4885PTGDR2 854/4885KMO 1057/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR MAP4K4 4374/4885PTGDR2 2386/4885KMO 2423/4885

“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.