SCHEMBL2628952

SCHEMBL2628952

COc1cnc(Cl)c2[nH]cc(C(=O)C(=O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PRKAG1 P54619 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
NR4A2 P43354 2/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL12215466 0.89 CYP2C9 (0.44) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL1762967 0.88 CYP2C9 (0.43) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
Potassium Ion SCHEMBL1763584 0.88 CYP2C9 (0.43) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL10326256 0.85 CYP2C9 (0.47) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL1472698 0.85 CYP2C9 (0.61) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL12238398 0.85 CYP2C9 (0.47) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
Water SCHEMBL1733706 0.84 CYP2C9 (0.60) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL29616351 0.84 CYP2C9 (0.47) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL1550197 0.84 CYP2C9 (0.47) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL7063069 0.84 CYP2C9 (0.41) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190328900-A1 ANTIBODY-DRUG CONJUGATES AND THERAPEUTIC METHODS USING THE SAME GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-10-31 US disclosed
EP-2978763-B1 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO 5) LTD (GB) 2018-03-07 EP disclosed
EP-2975038-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK(NO 4) LTD (GB) 2017-07-12 EP disclosed
US-9655888-B2 Tricyclic alkene derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-05-23 US disclosed
US-9655888-B2 Tricyclic alkene derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-05-23 US disclosed
US-9586957-B2 2-keto amide derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-03-07 US disclosed
US-9586957-B2 2-keto amide derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-03-07 US disclosed
EP-2895472-B1 Tricyclic alkene derivatives as HIV attachment inhibitors VIIV HEALTHCARE UK NO 5 LTD (GB) 2016-11-23 EP disclosed
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-07-28 US disclosed
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
WO-2004019944-A1 2-HYDROXY-6-PHENYLPHENANTHRIDINES AS PDE-4 INHIBITORS ALTANA PHARMA AG (DE) 2004-03-11 WO disclosed
WO-2004014380-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
US-20040023982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-02-05 US disclosed
EP-1363705-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-26 EP disclosed
US-20030207910-A1 Treatment of HIV and AIDS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-11-06 US disclosed
US-6632819-B1 HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY 2003-10-14 US disclosed
US-20030069266-A1 Aids therapy VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-04-10 US disclosed
US-6476034-B2 AIDS THERAPY BRISTOL-MYERS SQUIBB COMPANY 2002-11-05 US disclosed
US-20020119982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-08-29 US disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 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 (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-20020119982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C9 3477/4885CYP3A4 491/4885CYP2D6 1648/4885
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME CCL5, CCR5, CXCL10 CYP2C9 4831/4885CYP3A4 4235/4885CYP2D6 4602/4885
US-20030069266-A1 Aids therapy ENTPD5, CCR5, ITPA CYP2C9 2580/4885CYP3A4 363/4885CYP2D6 969/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP CYP2C9 1411/4885CYP3A4 175/4885CYP2D6 421/4885
US-20040023982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, EIF2AK2 CYP2C9 3466/4885CYP3A4 589/4885CYP2D6 1508/4885
US-20030207910-A1 Treatment of HIV and AIDS CD4, CCR5, IDO1 CYP2C9 1831/4885CYP3A4 138/4885CYP2D6 936/4885
US-20190328900-A1 ANTIBODY-DRUG CONJUGATES AND THERAPEUTIC METHODS USING THE SAME CD4, ABCB1, FCGR3B CYP2C9 1024/4885CYP3A4 846/4885CYP2D6 300/4885

“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.