SCHEMBL3571925

SCHEMBL3571925

CCOc1c(O)ccc(C=O)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GAA P10253 3/20 0.38
ERN1 O75460 3/20 0.38
TYR P14679 2/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
APAF1 O14727 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
TLR4 O00206 1/20 0.36

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
SCHEMBL12648401 0.86 TLR4 (0.40) ALDH1A1CA1CA2ERN1TYR
SCHEMBL4657547 0.84 ALDH1A1 (0.49) ALDH1A1CA1CA2GAAERN1
SCHEMBL28265532 0.83 ALDH1A1 (0.47) ALDH1A1CA1CA2GAAERN1
SCHEMBL5042606 0.81 LMNA (0.45) ALDH1A1GAAERN1LMNAL3MBTL1
SCHEMBL16055358 0.81 MEN1 (0.39) ALDH1A1CA1CA2GAAERN1
SCHEMBL1592193 0.81 CA1 (0.58) ALDH1A1CA1CA2ERN1TYR
SCHEMBL16097528 0.80 ALDH1A1 (0.45) ALDH1A1CA1CA2GAAERN1
SCHEMBL18489109 0.80 ALDH1A1 (0.38) ALDH1A1GAAERN1LMNAL3MBTL1
SCHEMBL16096174 0.80 ALDH1A1 (0.45) ALDH1A1CA1CA2GAAERN1
SCHEMBL27683962 0.80 CA1 (0.57) ALDH1A1CA1CA2GAAERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 US 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 ALDH1A1 934/4885CA1 2974/4885CA2 1232/4885

“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.