SCHEMBL146704

SCHEMBL146704

O=C(O)[C@@H](Nc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.49
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48
SRC P12931 1/20 0.48
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 1/20 0.43
CDK9 P50750 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2483519 1.00 FPR2 (0.49) FPR2POLBCYP2D6SRCLMNA
SCHEMBL2483521 1.00 FPR2 (0.49) FPR2POLBCYP2D6SRCLMNA
SCHEMBL28534876 0.98 FPR2 (0.47) FPR2POLBCYP2D6SRCLMNA
SCHEMBL11301777 0.96 CA12 (0.45) FPR2POLBCYP2D6SRCLMNA
Ethylene Glycol SCHEMBL27658801 0.92 FPR2 (0.44) FPR2POLBCYP2D6SRCLMNA
SCHEMBL7573687 0.88 MAOA (0.48) FPR2CYP2D6SRCLMNAMAPK1
SCHEMBL7583413 0.87 FPR2 (0.67) FPR2LMNACA12ALDH1A1MAPT
SCHEMBL1696047 0.87 MDM2 (0.48) FPR2LMNACA12CA9KDM4E
SCHEMBL9298520 0.87 CNR1 (0.53) LMNACA12CA9ALDH1A1MAPT
SCHEMBL2483340 0.87 NPC1 (0.47) FPR2POLBCYP2D6LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55011126-A None JP disclosed
US-9040566-B2 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-26 US disclosed
US-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-12 US disclosed
US-20120058983-A1 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 US disclosed
US-8101601-B2 Aminoacyl prodrug derivatives and medicaments for the treatment of thromboembolitic disorders BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-29 US disclosed
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS Bayers Schering Pharma Aktiengesellschaft (DE) 2011-07-14 US disclosed
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders BAYER HELTHCARE AG 2011-02-10 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
US-5374656-A Nervous system disorders, gastrointestinal disorders RHONE-POULENC RORER, S.A. (FR) 1994-12-20 US disclosed
US-5223529-A Nervous system and gastrointestinal disorders RHONE-POULENC SANTE (FR) 1993-06-29 US disclosed
US-4248677-A ELECTROCHEMICAL REDUCTION OF IMINES TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1981-02-03 US disclosed
JP-S5511126-A PRODUCTION OF N-SUBSTITUTED PHENYL GLYCINE TOKUYAMA SODA CO LTD 1980-01-25 JP 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 (6 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-20120088761-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR THE TREATMENT OF THROMBOEMBOLITIC DISORDERS PLG, AADAC, DNPEP FPR2 950/4885POLB 2762/4885CYP2D6 428/4885
US-20110172232-A1 AMINOACYL PRODRUGS AS AN ACTIVE PHARMACEUTICAL INGREDIENT FOR THROMBOEMBOLIC DISORDERS AADAC, AADAT, AASDHPPT FPR2 1416/4885POLB 3122/4885CYP2D6 182/4885
US-20100273789-A1 AMINOACYL PRODRUGS AADAC, DNPEP, AADAT FPR2 657/4885POLB 3372/4885CYP2D6 104/4885
US-20110034453-A1 Aminoacyl Prodrug Derivatives and Medicaments for the Treatment of Thromboembolitic Disorders PLG, AADAC, DNPEP FPR2 950/4885POLB 2762/4885CYP2D6 428/4885
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF DNPEP, AADAT, DAO FPR2 2791/4885POLB 4016/4885CYP2D6 128/4885
US-20120058983-A1 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension ADORA1, ADORA3, ADORA2A FPR2 4043/4885POLB 2245/4885CYP2D6 1458/4885

“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.