SCHEMBL4445388

SCHEMBL4445388

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
ACP3 P15309 2/20 0.51
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
PNMT P11086 1/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
DAO P14920 1/20 0.46
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45

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
SCHEMBL2166743 0.86 CES2 (0.54) CES2ACP3AKR1C3AKR1C2SMN1; SMN2
SCHEMBL1993610 0.83 AKR1C3 (0.66) CES2ACP3AKR1C3AKR1C2SMN1; SMN2
SCHEMBL1760202 0.83 AKR1C3 (0.66) CES2ACP3AKR1C3AKR1C2SMN1; SMN2
SCHEMBL14033570 0.83 CES2 (0.51) CES2ACP3AKR1C3AKR1C2SMN1; SMN2
SCHEMBL21382181 0.83 EPHX1 (0.51) CES2ACP3PNMTIDO1TDO2
SCHEMBL14983791 0.82 CES2 (0.53) CES2ACP3AKR1C3AKR1C2SMN1; SMN2
SCHEMBL27665713 0.82 SLC1A3 (0.48) CES2ACP3AKR1C3AKR1C2SMN1; SMN2
SCHEMBL7060385 0.80 NPSR1 (0.48) CES2ACP3AKR1C3AKR1C2SMN1; SMN2
SCHEMBL18952889 0.80 CES2 (0.57) CES2ACP3AKR1C3AKR1C2SMN1; SMN2
SCHEMBL24779793 0.79 PNMT (0.51) CES2ACP3NPSR1PNMTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137187-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE Inovacia AB (SE) 2009-12-30 EP disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 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-20080255153-A1 New compounds SCD, SCD5, FADS2 CES2 1198/4885ACP3 2640/4885AKR1C3 397/4885

“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.