SCHEMBL6014463

SCHEMBL6014463

CC(N)CC(C)c1cccc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.59
ENPEP Q07075 2/20 0.59
GRM4 Q14833 1/20 0.46
PARP1 P09874 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MAPT P10636 2/20 0.44
PTGS1 P23219 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
PTGS2 P35354 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL4752633 0.83 ANPEP (0.58) ANPEPENPEPGRM4PARP1CA1
SCHEMBL12247341 0.81 HDAC4 (0.56) ANPEPENPEPPARP1CA1CA2
SCHEMBL12247344 0.81 HDAC4 (0.56) ANPEPENPEPPARP1CA1CA2
SCHEMBL10174229 0.81 HDAC4 (0.56) ANPEPENPEPPARP1CA1CA2
SCHEMBL1320105 0.81 ANPEP (0.56) ANPEPENPEPPARP1CA1CA2
SCHEMBL7613565 0.81 ANPEP (0.64) ANPEPENPEPGRM4CA1CA2
SCHEMBL7613619 0.81 ANPEP (0.64) ANPEPENPEPGRM4CA1CA2
SCHEMBL505969 0.81 ANPEP (0.64) ANPEPENPEPGRM4CA1CA2
SCHEMBL7357638 0.80 ANPEP (0.54) ANPEPENPEPPARP1CA1CA2
Hydrochloric Acid SCHEMBL506171 0.80 ANPEP (0.62) ANPEPENPEPGRM4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 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 (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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 ANPEP 2443/4885ENPEP 3601/4885GRM4 3968/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 ANPEP 2443/4885ENPEP 3601/4885GRM4 3968/4885

“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.