SCHEMBL2512460

SCHEMBL2512460

CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC(C)(C)NC(=O)c1ccc(F)c(O)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
HSD17B14 Q9BPX1 3/20 0.32
MAP4K4 O95819 2/20 0.31
ANO1 Q5XXA6 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MMP10 P09238 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL2511915 0.90 TLR7 (0.34)
SCHEMBL2515079 0.88 TSHR (0.32) MAP4K4
SCHEMBL2511579 0.88 KDM4E (0.37) MAP4K4ANO1
SCHEMBL2511738 0.88 MAP4K4 (0.32) MAP4K4
SCHEMBL2509610 0.87 MAP4K4 (0.36) HSD17B1HSD17B2MAP4K4ANO1
SCHEMBL2511002 0.86 NPSR1 (0.38) MAP4K4
SCHEMBL2517583 0.86 MAPT (0.38)
SCHEMBL620459 0.85 HSD17B14 (0.36) HSD17B1HSD17B2HSD17B14MAP4K4ANO1
SCHEMBL2512721 0.85 MAP4K4 (0.36) MAP4K4
SCHEMBL2512402 0.85 DHFR (0.31) MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592592-B2 Sweet flavor modifier SENOMYX, INC. (US) 2013-11-26 US disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 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-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 HSD17B1 2819/4885HSD17B2 3346/4885HSD17B14 112/4885

“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.