SCHEMBL5045667

SCHEMBL5045667

CCO[C@H](C(=O)NCc1c(F)cc(C#N)cc1F)c1c(F)cc(OC)cc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.36
CHRM4 P08173 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
BRAF P15056 1/20 0.34
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
ENPP2 Q13822 1/20 0.33
KAT6A Q92794 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MGLL Q99685 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5045662 1.00 F10 (0.36) F10CHRM4SMN1; SMN2BRAFFPR1
SCHEMBL5037504 0.86 VNN1 (0.42) F10FPR1FPR2GAA
SCHEMBL5037500 0.86 VNN1 (0.42) F10FPR1FPR2GAA
SCHEMBL5042326 0.84 F10 (0.41) F10FPR1FPR2
SCHEMBL5042329 0.84 F10 (0.41) F10FPR1FPR2
SCHEMBL5047120 0.82 P2RX7 (0.42) F10FPR1FPR2ENPP2
SCHEMBL5047127 0.82 P2RX7 (0.42) F10FPR1FPR2ENPP2
SCHEMBL5045820 0.82 F10 (0.48) F10CHRM4KDM1AMAOAMAOB
SCHEMBL5045828 0.82 F10 (0.48) F10CHRM4KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL5037461 0.81 F10 (0.49) F10CHRM4KDM1AMAOAMAOB

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 8/4885CHRM4 2119/4885SMN1; SMN2 3242/4885

“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.