SCHEMBL5037893

SCHEMBL5037893

CCOc1cc(COCC(=O)O)c(F)c(OC2CCN(C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.51
HRH1 P35367 2/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
PRSS3 P35030 1/20 0.40
HTR2A P28223 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
SSTR5 P35346 1/20 0.37
ALDH1A1 P00352 2/20 0.37
FFAR1 O14842 2/20 0.36
KDM4E B2RXH2 2/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
PTGIR P43119 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL5037600 0.86 GPR119 (0.45) F10MAPTALDH1A1KDM4ENPSR1
SCHEMBL5037900 0.81 L3MBTL1 (0.42) MAPTFFAR1KDM4EPTGIRPPARG
SCHEMBL5037896 0.76 F10 (0.60) F10HRH1F2PRSS1PRSS2
SCHEMBL5047674 0.75 F10 (0.49) F10HRH1F2PRSS1PRSS2
SCHEMBL6874157 0.68 F10 (1.00) F10F2PRSS1PRSS2F7
SCHEMBL6872494 0.68 F10 (1.00) F10F2PRSS1PRSS2F7
SCHEMBL6875577 0.68 F10 (1.00) F10F2PRSS1PRSS2F7
SCHEMBL4407638 0.66 HSD17B10 (0.43) MAPTALDH1A1FFAR1KDM4EPPARG
SCHEMBL2345245 0.66 FFAR1 (0.44) MAPTFFAR1PTGIRPPARGPPARD
SCHEMBL4404615 0.64 HSD17B10 (0.51) MAPTALDH1A1KDM4ERAB9ANPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 8/4885HRH1 139/4885F2 13/4885

“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.