SCHEMBL2297082

SCHEMBL2297082

CCC(CC)(C(=O)O)C(=O)Oc1ccc(N)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ELANE P08246 6/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PRSS1 P07477 1/20 0.32
TMPRSS15 P98073 1/20 0.32
PRKCZ Q05513 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
ACHE P22303 1/20 0.31
ESR1 P03372 1/20 0.31
HIF1A Q16665 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
SCHEMBL156656 0.87 MAOB (0.38) ELANEALDH1A1LMNANPC1RAB9A
SCHEMBL2294577 0.84 HDAC1 (0.33) HDAC1HDAC6KCNQ3KCNQ2KCNQ4
SCHEMBL6036414 0.79 ELANE (0.53) HDAC1HDAC6ELANE
SCHEMBL2298371 0.79 ATM (0.41) ALDH1A1LMNARAB9A
SCHEMBL27761352 0.77 BCL9 (0.51) HDAC1HDAC6ALDH1A1LMNARAB9A
SCHEMBL3052660 0.75 HDAC1 (0.42) HDAC1HDAC6ALDH1A1LMNANPC1
SCHEMBL13274098 0.74 CA2 (0.44) ALDH1A1LMNANPC1RAB9A
SCHEMBL2300345 0.74 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL453104 0.74 ELANE (0.46) ELANERAB9A
SCHEMBL27872410 0.73 MGAM (0.43) HDAC1HDAC6ALDH1A1LMNANPC1

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 HDAC1 1605/4885HDAC6 2515/4885ELANE 1767/4885

“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.