SCHEMBL5042698

SCHEMBL5042698

CCOC(C(=O)O)c1c(F)cc(OCc2ccccn2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.55
PARP10 Q53GL7 1/20 0.43
GPR132 Q9UNW8 1/20 0.42
MAOB P27338 1/20 0.42
ADAMTS4 O75173 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
SYK P43405 3/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 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
SCHEMBL5045526 0.90 F10 (0.54) F10PARP10MAOBPPARGSYK
SCHEMBL5042575 0.84 PPARD (0.50) MAOBPPARGPPARAFFAR1LMNA
SCHEMBL5047497 0.79 F10 (0.58) F10GPR132MAOBSMN1; SMN2ALDH1A1
SCHEMBL5042041 0.78 F10 (0.74) F10PARP10SYKALDH1A1TSHR
SCHEMBL5042059 0.78 F10 (0.74) F10PARP10SYKALDH1A1TSHR
Hydrochloric Acid SCHEMBL5038250 0.77 F10 (0.76) F10PARP10SYKALDH1A1TSHR
Hydrochloric Acid SCHEMBL5038243 0.77 F10 (0.76) F10PARP10SYKALDH1A1TSHR
SCHEMBL5037580 0.77 F10 (0.65) F10PARP10GPR132SMN1; SMN2ALDH1A1
SCHEMBL5037578 0.77 F10 (0.65) F10PARP10GPR132SMN1; SMN2ALDH1A1
SCHEMBL5038048 0.75 PTGS2 (0.39) PPARGPPARAHPGDFFAR1

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 8/4885PARP10 1615/4885GPR132 2697/4885

“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.