SCHEMBL7141329

SCHEMBL7141329

O=C(O)CC(CC(=O)O)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53
CTSA P10619 1/20 0.52
GABBR2 O75899 1/20 0.50
GABBR1 Q9UBS5 1/20 0.50
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
F10 P00742 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
SLC6A9 P48067 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL21610485 0.90 GABBR2 (0.67) FNTAFNTBCTSAGABBR2GABBR1
Hydrochloric Acid SCHEMBL21609298 0.89 GABBR2 (0.65) FNTAFNTBCTSAGABBR2GABBR1
Hydrochloric Acid SCHEMBL29847994 0.89 GABBR2 (0.65) FNTAFNTBCTSAGABBR2GABBR1
SCHEMBL11079107 0.84 PARP1 (0.47) FNTAFNTBCTSASMN1; SMN2MGAM
SCHEMBL8771264 0.84 CTSA (0.51) FNTAFNTBCTSAHTTSMN1; SMN2
SCHEMBL27516185 0.83 CTSA (0.46) FNTAFNTBCTSAGABBR2GABBR1
SCHEMBL5721007 0.82 SMN1; SMN2 (0.55) FNTAFNTBCTSAGABBR2GABBR1
SCHEMBL21459503 0.82 SMN1; SMN2 (0.55) FNTAFNTBCTSAGABBR2GABBR1
SCHEMBL825322 0.82 SMN1; SMN2 (0.55) FNTAFNTBCTSAGABBR2GABBR1
SCHEMBL31295271 0.82 SMN1; SMN2 (0.55) FNTAFNTBCTSAGABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
CN-1080720-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-03-13 CN disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 FNTA 429/4885FNTB 307/4885CTSA 2013/4885

“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.