SCHEMBL5041001

SCHEMBL5041001

CCO[C@H](C(=O)NCc1ccc(C(=N)NO)cc1)c1c(F)ccc(-c2ccccn2)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 5/20 0.37
KDM1A O60341 4/20 0.37
TSHR P16473 1/20 0.37
HPGDS O60760 2/20 0.35
KLKB1 P03952 4/20 0.34
PPARG P37231 1/20 0.34
F2 P00734 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
GLA P06280 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL5040996 1.00 F10 (0.42) F10ALDH1A1HDAC1KDM1ATSHR
Hydrochloric Acid SCHEMBL5045198 0.90 F10 (0.50) F10ALDH1A1TSHRF2
Hydrochloric Acid SCHEMBL5045200 0.90 F10 (0.50) F10ALDH1A1TSHRF2
SCHEMBL5043984 0.85 ALDH1A1 (0.42) F10ALDH1A1TSHR
SCHEMBL5043979 0.85 ALDH1A1 (0.42) F10ALDH1A1TSHR
SCHEMBL5038160 0.81 F10 (0.34) F10ALDH1A1HDAC1KLKB1PPARG
SCHEMBL5038164 0.81 F10 (0.34) F10ALDH1A1HDAC1KLKB1PPARG
SCHEMBL5037578 0.79 F10 (0.65) F10ALDH1A1HDAC1TSHRKLKB1
SCHEMBL5037580 0.79 F10 (0.65) F10ALDH1A1HDAC1TSHRKLKB1
SCHEMBL5042081 0.78 F10 (0.33) F10ALDH1A1KLKB1PPARG

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 8/4885ALDH1A1 519/4885HDAC1 3142/4885

“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.