SCHEMBL6014468

SCHEMBL6014468

CC(C[CH]CN)c1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.51
ENPEP Q07075 1/20 0.51
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 1/20 0.45
TBXA2R P21731 1/20 0.43
PARP1 P09874 1/20 0.43
KAT6A Q92794 1/20 0.42
MAPT P10636 2/20 0.41
PTGS1 P23219 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
PTGS2 P35354 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41

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) ANPEPENPEPCA1CA2CA9
SCHEMBL10174229 0.78 HDAC4 (0.56) ANPEPENPEPCA1CA2CA9
SCHEMBL12247341 0.78 HDAC4 (0.56) ANPEPENPEPCA1CA2CA9
SCHEMBL12247344 0.78 HDAC4 (0.56) ANPEPENPEPCA1CA2CA9
SCHEMBL1320105 0.78 ANPEP (0.56) ANPEPENPEPCA1CA2CA9
SCHEMBL6014454 0.77 TAAR1 (0.59)
SCHEMBL6014463 0.77 ANPEP (0.59) ANPEPENPEPCA1CA2CA9
SCHEMBL7357638 0.76 ANPEP (0.54) ANPEPENPEPCA1CA2CA9
SCHEMBL6838300 0.75 ANPEP (0.53) ANPEPENPEPTBXA2RPARP1MAPT
SCHEMBL7613565 0.74 ANPEP (0.64) ANPEPENPEPCA1CA2CA9

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 3601/4885CA1 1667/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 ANPEP 2443/4885ENPEP 3601/4885CA1 1667/4885

“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.