SCHEMBL6014532

SCHEMBL6014532

COC(CCCN)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.45
CPB2 Q96IY4 1/20 0.38
GABRR1 P24046 5/20 0.38
LMNA P02545 4/20 0.38
THRB P10828 2/20 0.38
BLM P54132 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
HDAC3 O15379 1/20 0.38
GABBR2 O75899 1/20 0.38
CYP1A2 P05177 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRR2 P28476 1/20 0.38

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
SCHEMBL11843564 0.82 TSHR (0.37) MMP12CPB2LMNACYP1A2TSHR
SCHEMBL2137297 0.82 GPR84 (0.47) MMP12LMNABLMKMT2ANPSR1
SCHEMBL6540754 0.81
SCHEMBL28183600 0.80 GPR84 (0.55) MMP12LMNABLMKMT2ANPSR1
SCHEMBL23723113 0.78 GPR84 (0.58) LMNABLMKMT2ANPSR1CYP1A2
SCHEMBL12371513 0.78 GPR84 (0.58) LMNABLMKMT2ANPSR1CYP1A2
SCHEMBL20472006 0.78 GPR84 (0.58) LMNABLMKMT2ANPSR1CYP1A2
SCHEMBL20471823 0.78 GPR84 (0.58) LMNABLMKMT2ANPSR1CYP1A2
SCHEMBL28590845 0.78 GPR84 (0.58) LMNABLMKMT2ANPSR1CYP1A2
SCHEMBL13210490 0.78 MMP12 (0.41) MMP12GABRR1LMNAGABBR2GABBR1

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-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
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 EP 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
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 MMP12 4198/4885CPB2 2914/4885GABRR1 2244/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 MMP12 4198/4885CPB2 2914/4885GABRR1 2244/4885

“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.