SCHEMBL2690871

SCHEMBL2690871

CC(C)(C)OC(=O)c1ccc(CC(C(=O)O)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.53
SLC7A5 Q01650 1/20 0.52
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ATM Q13315 1/20 0.42
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
PPARD Q03181 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
MDM2 Q00987 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
FOLH1 Q04609 1/20 0.39

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
SCHEMBL18724303 0.87 SLC7A5 (0.50) LDHASLC7A5CA12CA1CA2
SCHEMBL2617129 0.86 SLC7A5 (0.71) SLC7A5CA12CA1CA2CA9
SCHEMBL21690434 0.86 SLC7A5 (0.71) SLC7A5CA12CA1CA2CA9
SCHEMBL2617199 0.86 SLC7A5 (0.71) SLC7A5CA12CA1CA2CA9
SCHEMBL15828913 0.85 SLC7A5 (0.47) SLC7A5CA12CA1CA2CA9
SCHEMBL15876045 0.82 ITGB3 (0.47) SLC7A5PPARGPPARAPPARDITGB3
SCHEMBL4399614 0.82 SLC7A5 (0.51) SLC7A5CA12CA1CA2CA9
SCHEMBL18873599 0.82 SLC7A5 (0.45) SLC7A5CA12CA1CA2CA9
SCHEMBL2058743 0.82 SLC7A5 (0.55) SLC7A5CA12CA1CA2CA9
SCHEMBL7390262 0.81 ACE (0.61) PPARGPPARAPPARDITGB3ITGA2B

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-8168821-B2 Cyclopropylacetic acid derivatives and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-01 US disclosed
US-20090286882-A1 Cyclopropylacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-11-19 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-20090286882-A1 Cyclopropylacetic Acid Derivatives and Use Thereof PCCA, PPP2CA, HMGCR LDHA 622/4885SLC7A5 2188/4885CA12 1514/4885

“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.