SCHEMBL2298371

SCHEMBL2298371

CCC(CC)(C(=O)O)C(=O)Oc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAPGEF3 O95398 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.35
MITF O75030 1/20 0.35
HPGD P15428 1/20 0.35
MC4R P32245 1/20 0.35
FBP1 P09467 1/20 0.35
AR P10275 2/20 0.35
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2300345 0.83 ALDH1A1 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL156656 0.83 MAOB (0.38) SMN1; SMN2ALDH1A1MAPTLMNARAB9A
SCHEMBL6036166 0.81 ELANE (0.47) ATMTDP1MEN1KMT2ARAPGEF3
SCHEMBL27578594 0.79 BCL9 (0.61) ATMTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL2297082 0.79 HDAC1 (0.35) ALDH1A1LMNARAB9A
SCHEMBL2937774 0.78 ATM (0.46) ATMTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL27357985 0.77 ATM (0.51) ATMTDP1MEN1KMT2ARAPGEF3
SCHEMBL27872409 0.76 MAPT (0.44) ATMTDP1KMT2ASMN1; SMN2RAPGEF3
SCHEMBL1641896 0.75 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6610634 0.75 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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 ATM 3475/4885TDP1 4243/4885MEN1 3602/4885

“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.