SCHEMBL5041226

SCHEMBL5041226

COC(=O)COc1cc(C(OC)C(=O)NCc2ccc(C(=N)N)cc2)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.53
PRSS1 P07477 9/20 0.53
F7 P08709 8/20 0.53
F10 P00742 8/20 0.53
MRGPRX1 Q96LB2 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
PRSS2 P07478 1/20 0.44
F3 P13726 1/20 0.44
PRSS3 P35030 1/20 0.44
ST14 Q9Y5Y6 1/20 0.43
PKM P14618 1/20 0.43
PROC P04070 1/20 0.42
KLKB1 P03952 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
MAPK1 P28482 1/20 0.40

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 SCHEMBL5041219 0.99 PRSS1 (0.52) F2PRSS1F7F10MRGPRX1
Hydrochloric Acid SCHEMBL5045503 0.92 PRSS1 (0.53) F2PRSS1F7F10MRGPRX1
Hydrochloric Acid SCHEMBL5045510 0.92 PRSS1 (0.53) F2PRSS1F7F10MRGPRX1
SCHEMBL5038211 0.86 F2 (0.51) F2PRSS1F7F10MRGPRX1
SCHEMBL5037610 0.86 PKM (0.49) F2PRSS1F7F10MRGPRX1
Hydrochloric Acid SCHEMBL5038201 0.85 F2 (0.51) F2PRSS1F7F10MRGPRX1
Hydrochloric Acid SCHEMBL5037603 0.85 PKM (0.48) F2PRSS1F7F10MRGPRX1
Hydrochloric Acid SCHEMBL5038024 0.84 F2 (0.53) F2PRSS1F7F10MRGPRX1
SCHEMBL5037795 0.84 F2 (0.55) F2PRSS1F7F10MRGPRX1
Hydrochloric Acid SCHEMBL5038022 0.84 F2 (0.53) F2PRSS1F7F10MRGPRX1

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 F2 13/4885PRSS1 233/4885F7 1/4885

“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.