SCHEMBL13269643

SCHEMBL13269643

CC(C)(C)OC(=O)CCc1cc(C(=O)O)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.53
STING1 Q86WV6 1/20 0.36
RAB9A P51151 5/20 0.34
TP53 P04637 3/20 0.34
NPC1 O15118 4/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13894457 0.77 DAO (0.53) DAORAB9ATP53ALDH1A1GAA
SCHEMBL25363398 0.75 DAO (0.51) DAORAB9ATP53KMT2ALMNA
SCHEMBL9762999 0.74 LTB4R (0.39) DAOSTING1FFAR1
SCHEMBL13269312 0.74 DAO (0.54) DAORAB9ATP53KMT2ASMN1; SMN2
SCHEMBL2140946 0.74 DAO (0.72) DAORAB9ATP53NPC1KMT2A
SCHEMBL1188159 0.73 TPMT (0.36) STING1ALDH1A1HPGDMAPTNPSR1
SCHEMBL4578114 0.72 ALDH1A1 (0.47) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL12581335 0.72 HPGD (0.43) DAOSTING1TP53ALDH1A1LMNA
SCHEMBL11398245 0.71 DAO (0.68) DAORAB9ATP53NPC1KMT2A
SCHEMBL6957306 0.71 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102822154-B Heteroarylcarboxylicacid acid ester derivative AJINOMOTO CO.,INC. (JP) 2016-06-01 CN disclosed
US-20150313889-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-11-05 US disclosed
US-9115107-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2015-08-25 US disclosed
EP-2511271-B1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO KK (JP) 2015-01-21 EP disclosed
US-20150011511-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-01-08 US disclosed
US-8877805-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2014-11-04 US disclosed
US-20140080790-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2014-03-20 US disclosed
US-8609715-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2013-12-17 US disclosed
CN-102822154-A Heteroarylcarboxylic acid ester derivative AJINOMOTO KK 2012-12-12 CN disclosed
US-20120283222-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2012-11-08 US disclosed
EP-2511271-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2012-10-17 EP 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 (4 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-20140080790-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 DAO 406/4885STING1 4808/4885RAB9A 3182/4885
US-20120283222-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 DAO 406/4885STING1 4808/4885RAB9A 3182/4885
US-20150011511-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 DAO 406/4885STING1 4808/4885RAB9A 3182/4885
US-20150313889-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 DAO 406/4885STING1 4808/4885RAB9A 3182/4885

“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.