SCHEMBL4121659

SCHEMBL4121659

Cc1cc(-c2cc(C(=O)O)c(O)c(-c3cccnc3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.49
▸ RXRB P28702 3/20 0.48
▸ RXRA P19793 2/20 0.48
▸ AKR1C2 P52895 3/20 0.43
▸ AKR1C1 Q04828 3/20 0.43
▸ DHODH Q02127 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ PTPN2 P17706 2/20 0.40
▸ PTPN6 P29350 2/20 0.40
▸ ACLY P53396 2/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ KMO O15229 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5013821 0.89 MAPK14 (0.42) PTPN1RXRBRXRATDP1
SCHEMBL4114697 0.88 PTPN1 (0.64) PTPN1RXRBRXRAAKR1C2AKR1C1
SCHEMBL4128731 0.78 MAPK14 (0.47) RXRBRXRATDP1
SCHEMBL5013824 0.75 MAPK14 (0.46) TDP1
SCHEMBL18645759 0.75 KIF11 (0.54) KIF11ACLYTDP1
SCHEMBL9247600 0.73 PTPN1 (0.63) PTPN1RXRBRXRAAKR1C2AKR1C1
SCHEMBL28143432 0.72 KMO (0.57) DHODHKDM4ELMNAHTTKMO
SCHEMBL13179001 0.71 KIF11 (0.70) KDM4ELMNAHTTKIF11
SCHEMBL3618824 0.71 HCRTR1 (0.60) DHODHKDM4ELMNAHTTKMO
SCHEMBL23928359 0.70 KIF11 (0.69) SLC22A12KIF11KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 — — US claimed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 — — EP claimed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 — — WO claimed
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 — — US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 — — EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 — — WO 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 PTPN1 1748/4885RXRB 239/4885RXRA 216/4885

“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.

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