SCHEMBL15539672

SCHEMBL15539672

CCC(Cc1ccc(C(=O)OC(C)(C)C)s1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 13/20 0.41
TMPRSS15 P98073 13/20 0.41
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC7A5 Q01650 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 3/20 0.35
EPHX2 P34913 2/20 0.35
PPARA Q07869 2/20 0.35
NR4A2 P43354 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL15539583 0.83 SYK (0.43) ALDH1A1SLC7A5TSHRMAPK1L3MBTL1
SCHEMBL26244529 0.79 HPGD (0.47) HPGDALDH1A1TSHRMAPK1ATM
Bromide SCHEMBL4186407 0.77 GRM6 (0.37) PRSS1TMPRSS15HPGDALDH1A1SLC7A5
SCHEMBL15539430 0.76 PRSS1 (0.44) PRSS1TMPRSS15HPGDALDH1A1TSHR
SCHEMBL13269217 0.75 HPGD (0.40) PRSS1TMPRSS15HPGDALDH1A1TSHR
SCHEMBL4179468 0.75 HPGD (0.40) PRSS1TMPRSS15HPGDALDH1A1TSHR
SCHEMBL13141322 0.75 HPGD (0.40) PRSS1TMPRSS15HPGDALDH1A1SLC7A5
SCHEMBL18338977 0.74 PRSS1 (0.53) PRSS1TMPRSS15HPGDTSHRMAPK1
SCHEMBL8565291 0.74 LMNA (0.49) PRSS1TMPRSS15HPGDALDH1A1TSHR
SCHEMBL8549434 0.74 TSHR (0.44) HPGDALDH1A1SLC7A5TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9655879-B2 Heteroarylcarboxylic acid ester derivative EA PHARMA CO., LTD. (JP) 2017-05-23 US disclosed
US-20160058734-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2016-03-03 US disclosed
US-9227949-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2016-01-05 US disclosed
US-9024044-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2015-05-05 US disclosed
US-20150099733-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-04-09 US disclosed
WO-2013187533-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2013-12-19 WO 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 (2 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-20150099733-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 PRSS1 10/4885TMPRSS15 35/4885HPGD 720/4885
US-20160058734-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 PRSS1 10/4885TMPRSS15 35/4885HPGD 720/4885

“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.