SCHEMBL5041659

SCHEMBL5041659

CCOC(=O)COc1cc(C(=N)N)ccc1CNC(=O)C(OCC)c1ccc(OC)cc1F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.55
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
EPHX2 P34913 2/20 0.35
PPARG P37231 1/20 0.35
F2 P00734 5/20 0.35
PRSS1 P07477 2/20 0.35
HPGD P15428 1/20 0.35
PTPN1 P18031 1/20 0.34
F9 P00740 1/20 0.34
MAPT P10636 1/20 0.34
MASP2 O00187 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 SCHEMBL5041650 0.99 F10 (0.56) F10TPSAB1TPSD1TPSG1EPHX2
Hydrochloric Acid SCHEMBL5041294 0.92 F10 (0.65) F10EPHX2F2PRSS1HPGD
SCHEMBL5038087 0.92 F10 (0.57) F10F2PRSS1HPGD
Hydrochloric Acid SCHEMBL5041290 0.92 F10 (0.65) F10EPHX2F2PRSS1HPGD
Hydrochloric Acid SCHEMBL5037856 0.89 F10 (0.56) F10EPHX2PPARGF2PRSS1
Hydrochloric Acid SCHEMBL5037845 0.89 F10 (0.56) F10EPHX2PPARGF2PRSS1
Hydrochloric Acid SCHEMBL5043088 0.89 F10 (0.55) F10EPHX2F2PRSS1HPGD
Hydrochloric Acid SCHEMBL5043093 0.89 F10 (0.55) F10EPHX2F2PRSS1HPGD
SCHEMBL5040775 0.87 F10 (0.48) F10EPHX2PPARGF2PRSS1
Hydrochloric Acid SCHEMBL5041647 0.87 F10 (0.49) 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 8/4885TPSAB1 24/4885TPSD1 172/4885

“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.