SCHEMBL2298373

SCHEMBL2298373

CCc1c(C(CC)(C(=O)O)C(=O)O)ccc([N+](=O)[O-])c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.37
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HCAR3 P49019 2/20 0.35
TSHR P16473 2/20 0.33
CASP6 P55212 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
AR P10275 4/20 0.32
CYP3A4 P08684 2/20 0.32
CES2 O00748 1/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TBXA2R P21731 1/20 0.32
AADAC P22760 1/20 0.32

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
SCHEMBL1641897 0.89 FBP1 (0.37) FBP1POLBALDH1A1HCAR3TSHR
SCHEMBL156657 0.80 RIPK1 (0.35) CES2SMN1; SMN2
SCHEMBL2297085 0.79 MEN1 (0.31) POLBALDH1A1CYP1A2
SCHEMBL2300346 0.77 ALDH1A1 (0.33) POLBALDH1A1HTT
SCHEMBL9903207 0.77 POLB (0.36) FBP1POLBALDH1A1HCAR3TDP1
SCHEMBL27340182 0.73 TSHR (0.49) ALDH1A1HCAR3TSHRCYP3A4LMNA
SCHEMBL7977850 0.73 ALDH1A1 (0.35) FBP1POLBALDH1A1
SCHEMBL4819823 0.72 ALDH1A1 (0.35) FBP1POLBALDH1A1MAPK1SMN1; SMN2
SCHEMBL9054298 0.71 ALDH1A1 (0.48) POLBALDH1A1TSHRTDP1CYP3A4
SCHEMBL23539368 0.70 TSHR (0.44) FBP1ALDH1A1HCAR3TSHRCASP6

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 FBP1 1277/4885POLB 3962/4885ALDH1A1 449/4885

“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.