SCHEMBL5040711

SCHEMBL5040711

CCOC(C(=O)NCc1ccc(C(=N)NC(=O)OCc2ccccc2)cc1)c1c(F)cc(OCCN2CCOCC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.48
KDR P35968 3/20 0.48
FLT1 P17948 2/20 0.48
AURKA O14965 2/20 0.48
MASP2 O00187 3/20 0.43
F10 P00742 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SRC P12931 2/20 0.40
ABL1 P00519 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
LYN P07948 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
BCR P11274 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 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
SCHEMBL5040706 0.86 FLT3 (0.44) FLT3KDRFLT1AURKAF10
SCHEMBL5040709 0.86 FLT3 (0.44) FLT3KDRFLT1AURKAF10
SCHEMBL6454327 0.85 F10 (0.47) FLT3KDRFLT1AURKAF10
SCHEMBL6454314 0.85 F10 (0.47) FLT3KDRFLT1AURKAF10
Hydrochloric Acid SCHEMBL5041200 0.85 F10 (0.48) FLT3KDRAURKAF10SMN1; SMN2
Hydrochloric Acid SCHEMBL5041192 0.85 F10 (0.48) FLT3KDRAURKAF10SMN1; SMN2
SCHEMBL5037329 0.83 MASP2 (0.47) MASP2F10ALDH1A1CYP3A4HDAC1
SCHEMBL5041100 0.81 MASP2 (0.43) MASP2F10ALDH1A1CYP3A4CTSS
SCHEMBL5043460 0.79 MASP2 (0.42) MASP2F10ALDH1A1CYP3A4
SCHEMBL5041773 0.78 MASP2 (0.45) MASP2F10ALDH1A1CYP3A4HDAC1

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 FLT3 1277/4885KDR 3410/4885FLT1 1299/4885

“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.