SCHEMBL1699147

SCHEMBL1699147

Cc1ccc(C(=O)O)c(OC(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
CSNK2A1 P68400 1/20 0.47
IRAK4 Q9NWZ3 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ADRB3 P13945 6/20 0.43
ADRB1 P08588 5/20 0.43
KMT2A Q03164 1/20 0.42
GRIK1 P39086 1/20 0.41
GRIA2 P42262 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41

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
SCHEMBL17908023 0.86 CSNK2A1 (0.52) ALDH1A1IDO1TDO2CSNK2A1IRAK4
SCHEMBL21939155 0.84 SMN1; SMN2 (0.47) ALDH1A1CSNK2A1KDM4EKMT2AGRIK1
SCHEMBL20215155 0.84 IDO1 (0.49) ALDH1A1IDO1TDO2IRAK4KDM4E
SCHEMBL20215156 0.84 IDO1 (0.49) ALDH1A1IDO1TDO2IRAK4KMT2A
SCHEMBL17908039 0.84 ALDH1A1 (0.73) ALDH1A1IRAK4KDM4EADRB3ADRB1
SCHEMBL2772492 0.83 IDO1 (0.51) ALDH1A1IDO1TDO2IRAK4KDM4E
SCHEMBL1699075 0.83 CA12 (0.50) ALDH1A1IDO1TDO2IRAK4KDM4E
SCHEMBL29370483 0.82 IDO1 (0.61) ALDH1A1IDO1TDO2IRAK4KMT2A
SCHEMBL26487514 0.82 ALDH1A1 (0.41) ALDH1A1IDO1TDO2CSNK2A1KDM4E
SCHEMBL4776570 0.82 ALDH1A1 (0.56) ALDH1A1IRAK4KDM4EADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US disclosed
US-8889863-B2 Stereoselective methods, catalysts and intermediates for the synthesis of (−)-Nutlin-3 and related compounds VANDERBILT UNIVERSITY (US) 2014-11-18 US disclosed
US-20120088915-A1 STEREOSELECTIVE METHODS, CATALYSTS AND INTERMEDIATES FOR THE SYNTHESIS OF (-)-NUTLIN-3 AND RELATED COMPOUNDS VANDERBILT UNIVERSITY 2012-04-12 US disclosed
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 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 (9 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 575/4885IDO1 258/4885TDO2 940/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 527/4885IDO1 268/4885TDO2 927/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885IDO1 304/4885TDO2 931/4885
US-20120088915-A1 STEREOSELECTIVE METHODS, CATALYSTS AND INTERMEDIATES FOR THE SYNTHESIS OF (-)-NUTLIN-3 AND RELATED COMPOUNDS NUTF2, MDM2, CIAPIN1 ALDH1A1 2092/4885IDO1 227/4885TDO2 1480/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885IDO1 304/4885TDO2 931/4885
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER4, PTGER1, PTGER2 ALDH1A1 477/4885IDO1 424/4885TDO2 730/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 ALDH1A1 418/4885IDO1 332/4885TDO2 1061/4885
US-20040133008-A1 Amide compounds APOB, APOL1, LDLR ALDH1A1 2174/4885IDO1 699/4885TDO2 3579/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 ALDH1A1 477/4885IDO1 424/4885TDO2 730/4885

“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.