SCHEMBL6490071

SCHEMBL6490071

Nc1ccc(-c2ccc(C(=O)O)c(O)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.72
HNF4A P41235 2/20 0.72
ALDH1A1 P00352 4/20 0.71
KDM4E B2RXH2 4/20 0.71
MAPT P10636 3/20 0.71
CYP3A4 P08684 2/20 0.71
GAA P10253 1/20 0.71
ESR2 Q92731 1/20 0.71
PTPN1 P18031 1/20 0.71
PPM1B O75688 1/20 0.64
KMT2A Q03164 2/20 0.55
PTGS2 P35354 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 1/20 0.55
TNF P01375 1/20 0.55
HSPD1 P10809 1/20 0.55
THRB P10828 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL18735541 0.90 ACMSD (0.88) ACMSDHNF4AALDH1A1KDM4EMAPT
SCHEMBL29441950 0.88 ACMSD (0.83) ACMSDHNF4AALDH1A1KDM4EMAPT
SCHEMBL2773864 0.88 ACMSD (0.83) ACMSDHNF4AALDH1A1KDM4EMAPT
SCHEMBL29810721 0.84 ACMSD (1.00) ACMSDHNF4AALDH1A1KDM4EMAPT
SCHEMBL22126663 0.84 ACMSD (0.78) ACMSDHNF4AALDH1A1KDM4EMAPT
SCHEMBL2536183 0.84 ACMSD (1.00) ACMSDHNF4AALDH1A1KDM4EMAPT
Aminosalicylic Acid SCHEMBL30337954 0.84 ALDH1A1 (1.00) ACMSDHNF4AALDH1A1KDM4EMAPT
Aminosalicylic Acid SCHEMBL3333393 0.84 ALDH1A1 (1.00) ACMSDHNF4AALDH1A1KDM4EMAPT
Aminosalicylic Acid SCHEMBL29450213 0.84 ALDH1A1 (1.00) ACMSDHNF4AALDH1A1KDM4EMAPT
Aminosalicylic Acid SCHEMBL2262 0.84 ALDH1A1 (1.00) ACMSDHNF4AALDH1A1KDM4EMAPT

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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 ACMSD 4137/4885HNF4A 1869/4885ALDH1A1 1028/4885

“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.