SCHEMBL596376

SCHEMBL596376

CCC(C(=O)O)C(=O)C(F)(F)F.O=C(O)CC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.34
CES1 P23141 6/20 0.33
CES2 O00748 4/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX1 P07099 1/20 0.31
CPA1 P15085 1/20 0.30
PLOD2 O00469 1/20 0.30

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
SCHEMBL166047 0.86 MAPT (0.35) FAAHCES1CES2MEN1CYP1A2
SCHEMBL31095567 0.82 GAA (0.42) FAAHCES1CES2
SCHEMBL1059262 0.77 LDHA (0.47) FAAHCES1CES2MEN1CYP1A2
SCHEMBL596374 0.75
Hydrochloric Acid SCHEMBL7501867 0.75 LDHA (0.44) FAAHCES1CES2MEN1CYP1A2
SCHEMBL7544594 0.75 LDHA (0.44) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8645726 0.75 LDHA (0.44) FAAHCES1CES2MEN1CYP1A2
SCHEMBL14973493 0.75 LDHA (0.44) FAAHCES1CES2MEN1CYP1A2
SCHEMBL596375 0.73 MAPT (0.32)
SCHEMBL27760921 0.71 EPHX1 (0.32) FAAHCES1CES2MEN1CYP1A2

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-8115012-B2 Process for preparing difluoromethylpyrazolyl carboxylates BASF SE (DE) 2012-02-14 US disclosed
US-20100069646-A1 Process for preparing difluoromethylpyrazolyl carboxylates BASF SE (DE) 2010-03-18 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-20100069646-A1 Process for preparing difluoromethylpyrazolyl carboxylates HCN2, HCN3, C9 FAAH 4110/4885CES1 3911/4885CES2 1504/4885

“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.