SCHEMBL5041955

SCHEMBL5041955

CCOC(C(=O)NCc1ccc(C(=N)N)cc1)c1c(F)cc(Oc2ccc(OC)cc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.48
F2 P00734 6/20 0.47
ST14 Q9Y5Y6 4/20 0.41
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
MAPK1 P28482 1/20 0.41
F7 P08709 2/20 0.41
KLKB1 P03952 1/20 0.40
ALDH1A1 P00352 2/20 0.40
EPHX2 P34913 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5041966 1.00 F10 (0.48) F10F2ST14CARM1PRMT6
Hydrochloric Acid SCHEMBL5041941 0.92 F10 (0.53) F10F2ST14MAPK1F7
Hydrochloric Acid SCHEMBL5041921 0.92 F10 (0.53) F10F2ST14MAPK1F7
SCHEMBL6451726 0.92 F10 (0.50) F10F2ST14CARM1PRMT6
SCHEMBL6451758 0.92 F10 (0.50) F10F2ST14CARM1PRMT6
Hydrochloric Acid SCHEMBL5041535 0.91 F10 (0.49) F10F2ST14F7KLKB1
Hydrochloric Acid SCHEMBL5041541 0.91 F10 (0.49) F10F2ST14F7KLKB1
Hydrochloric Acid SCHEMBL5045566 0.91 F10 (0.51) F10F2ST14CARM1PRMT6
Hydrochloric Acid SCHEMBL5045557 0.91 F10 (0.51) F10F2ST14CARM1PRMT6
Hydrochloric Acid SCHEMBL5037782 0.91 F10 (0.54) F10F2ST14CARM1PRMT6

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 8/4885F2 13/4885ST14 1537/4885

“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.