SCHEMBL2297085

SCHEMBL2297085

CCc1c(C(CC)(C(=O)O)C(=O)O)ccc(N)c1F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
KEAP1 Q14145 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL156657 0.86 RIPK1 (0.35)
SCHEMBL2294582 0.80 HDAC1 (0.30)
SCHEMBL2298373 0.79 FBP1 (0.37) CYP1A2ALDH1A1POLB
SCHEMBL21733550 0.74 FFAR4 (0.36) POLB
SCHEMBL3425386 0.73 RIPK1 (0.34)
SCHEMBL1641897 0.73 FBP1 (0.37) CYP1A2ALDH1A1POLB
SCHEMBL1772317 0.72 RIPK1 (0.43) MEN1KMT2A
SCHEMBL1706655 0.71 KEAP1 (0.47) MEN1CYP1A2KMT2AKEAP1ALDH1A1
SCHEMBL5530171 0.71 GABRA1 (0.42) MEN1KMT2A
SCHEMBL9903207 0.71 POLB (0.36) MEN1CYP1A2KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-08-18 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-20110201663-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS PTGER4, PTGER1, PTGER2 MEN1 3602/4885CYP1A2 284/4885KMT2A 3572/4885

“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.