SCHEMBL5581998

SCHEMBL5581998

O=C(O)CCc1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.56
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
FFAR4 Q5NUL3 5/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SRD5A2 P31213 1/20 0.49
KEAP1 Q14145 1/20 0.48

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
SCHEMBL5908733 0.87 ALDH1A1 (0.51) FFAR1CA1CA2FFAR4LMNA
SCHEMBL1907464 0.87 PRMT1 (0.46) FFAR1CA1CA2FFAR4LMNA
SCHEMBL2257211 0.84 F2RL1 (0.46) FFAR1LMNA
SCHEMBL6941010 0.84 PPARA (0.51) CA1CA2
SCHEMBL4461203 0.83 CA2 (0.47) CA2LMNASRD5A2
SCHEMBL19143369 0.83 FFAR1 (0.59) FFAR1CA1CA2FFAR4LMNA
SCHEMBL17847695 0.82 CA2 (0.46) CA1CA2
SCHEMBL17834378 0.82 PPARA (0.41) FFAR1CA1CA2LMNAL3MBTL1
SCHEMBL4074491 0.81 FFAR1 (0.57) FFAR1CA1CA2FFAR4LMNA
SCHEMBL584599 0.79 FFAR1 (0.64) FFAR1FFAR4LMNAL3MBTL1SRD5A2

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-20070225308-A1 2-Amino Quinazoline Derivative KYOWA HAKKO KOGYO CO.,LTD. (JP) 2007-09-27 US disclosed
EP-1726584-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-29 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-20070225308-A1 2-Amino Quinazoline Derivative AGTR2, ABL1, AGTR1 FFAR1 651/4885CA1 4343/4885CA2 959/4885

“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.