SCHEMBL1713795

SCHEMBL1713795

Cc1ccc(O[C@H](C)C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
GAA P10253 1/20 0.67
CYP2C9 P11712 1/20 0.67
PKM P14618 1/20 0.67
CYP2C19 P33261 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
KMT2A Q03164 4/20 0.56
MEN1 O00255 1/20 0.56
PPARG P37231 4/20 0.51
PPARA Q07869 4/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TBXAS1 P24557 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL1171377 1.00 CYP1A2 (0.67) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4651678 1.00 CYP1A2 (0.67) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL24805728 0.94 CYP1A2 (0.61) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL21992740 0.94 CYP1A2 (0.61) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11180474 0.94 CYP1A2 (0.61) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4262556 0.91 CYP1A2 (0.77) CYP1A2GAACYP2C9PKMCYP2C19
Toluene SCHEMBL28734442 0.86 CYP1A2 (0.65) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11550164 0.85 CYP1A2 (0.69) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL8900988 0.85 CYP1A2 (0.69) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL5803914 0.84 PPARG (0.52) CYP1A2GAACYP2C9PKMCYP2C19

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-26 US disclosed
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-26 US disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-9878999-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-9878999-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-9878999-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-8722741-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2014-05-13 US disclosed
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-03-13 US disclosed
US-8524715-B2 Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2013-09-03 US disclosed
WO-2012129564-A2 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-09-27 WO disclosed
EP-1784388-B3 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-09-05 EP disclosed
US-20120178732-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease LUKER TIMOTHY JON (GB) 2012-07-12 US disclosed
US-8163727-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2012-04-24 US disclosed
EP-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP disclosed
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-7737135-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2010-06-15 US disclosed
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases ASTRAZENECA AB (SE) 2009-06-11 US disclosed
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-06-05 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 (7 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-20120178732-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 CYP1A2 17/4885GAA 97/4885CYP2C9 108/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 CYP1A2 17/4885GAA 97/4885CYP2C9 108/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 CYP1A2 17/4885GAA 97/4885CYP2C9 108/4885
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs PSMB3, PSME3, PSMD3 CYP1A2 2569/4885GAA 771/4885CYP2C9 3238/4885
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 CYP1A2 2569/4885GAA 771/4885CYP2C9 3238/4885
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 CYP1A2 2569/4885GAA 771/4885CYP2C9 3238/4885
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases PAOX, PCCA, PAH CYP1A2 84/4885GAA 88/4885CYP2C9 250/4885

“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.