SCHEMBL5040775

SCHEMBL5040775

CCOC(=O)[C@H](C)Oc1cc(C(=N)N)ccc1CNC(=O)C(OCC)c1ccc(OC)cc1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.48
EPHX2 P34913 5/20 0.36
PPARG P37231 1/20 0.36
F2 P00734 3/20 0.36
PRSS1 P07477 2/20 0.35
MAPT P10636 2/20 0.34
NR5A1 Q13285 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33

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
Hydrochloric Acid SCHEMBL5040754 0.99 F10 (0.49) F10EPHX2PPARGF2PRSS1
Hydrochloric Acid SCHEMBL5041647 0.99 F10 (0.49) F10EPHX2PPARGF2PRSS1
Hydrochloric Acid SCHEMBL5041954 0.93 F10 (0.51) F10EPHX2PPARGF2PRSS1
Hydrochloric Acid SCHEMBL5041263 0.93 F10 (0.51) F10EPHX2PPARGF2PRSS1
Hydrochloric Acid SCHEMBL5041268 0.93 F10 (0.51) F10EPHX2PPARGF2PRSS1
Hydrochloric Acid SCHEMBL5041271 0.93 F10 (0.51) F10EPHX2PPARGF2PRSS1
Hydrochloric Acid SCHEMBL5045202 0.91 F10 (0.52) F10EPHX2F2PRSS1
Hydrochloric Acid SCHEMBL5045210 0.91 F10 (0.52) F10EPHX2F2PRSS1
Hydrochloric Acid SCHEMBL5037845 0.89 F10 (0.56) F10EPHX2PPARGF2PRSS1
Hydrochloric Acid SCHEMBL5037856 0.89 F10 (0.56) F10EPHX2PPARGF2PRSS1

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
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US claimed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US claimed
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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 (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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 F10 8/4885EPHX2 1557/4885PPARG 4757/4885

“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.