SCHEMBL5160219

SCHEMBL5160219

O=[C]c1cccc(C(=O)O)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
ACMSD Q8TDX5 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
LMNA P02545 3/20 0.46
GNE Q9Y223 1/20 0.44
KMT2A Q03164 2/20 0.43
MGAM O43451 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ECE1 P42892 1/20 0.41
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
SLC16A3 O15427 1/20 0.39
MEN1 O00255 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CA1 P00915 1/20 0.37

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
SCHEMBL1244495 0.82 KDM4E (0.61) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL7931837 0.82 KDM4E (0.61) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL720696 0.79 KDM4E (1.00) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL34595 0.79 KDM4E (1.00) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL7932631 0.77 KDM4E (0.55) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1202115 0.77 GRM5 (0.56) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL8924848 0.77 MAPT (0.49) KDM4ETSHRL3MBTL1CA1CA2
Dipicolinic Acid SCHEMBL3974347 0.77 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL890375 0.77 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL2276248 0.77 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233013-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2007-02-28 EP disclosed
US-7160874-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-01-09 US disclosed
US-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine AJINOMOTO CO., INC. (JP) 2005-03-31 US disclosed
US-6855706-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-02-15 US disclosed
EP-1233013-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-08-21 EP disclosed
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 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 (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-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine ITGB4, ITGA4, ITGAL KDM4E 420/4885ALOX15 2810/4885TSHR 1456/4885

“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.