SCHEMBL6720217

SCHEMBL6720217

O=C(O)c1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 1.00
PTPN22 Q9Y2R2 6/20 0.70
PTPN5 P54829 3/20 0.70
PTPN1 P18031 2/20 0.70
PTPN7 P35236 2/20 0.70
DUSP3 P51452 1/20 0.70
LDHA P00338 1/20 0.63
LDHB P07195 1/20 0.63
HAO1 Q9UJM8 1/20 0.63
INSR P06213 1/20 0.58
IGF1R P08069 1/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
POLB P06746 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
CTDSP1 Q9GZU7 3/20 0.56
MAPT P10636 3/20 0.56
PPM1G O15355 1/20 0.56

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
SCHEMBL31358662 1.00 AKT1 (1.00) AKT1PTPN22PTPN5PTPN1PTPN7
SCHEMBL31358731 0.87 AKT1 (0.77) AKT1PTPN22PTPN5PTPN1PTPN7
SCHEMBL31358895 0.87 AKT1 (0.77) AKT1PTPN22PTPN5PTPN1PTPN7
SCHEMBL31358841 0.85 AKT1 (0.73) AKT1PTPN22PTPN5PTPN1PTPN7
SCHEMBL25270155 0.83 AKT1 (0.71) AKT1PTPN22PTPN5PTPN1PTPN7
SCHEMBL25213499 0.83 AKT1 (0.71) AKT1PTPN22PTPN5PTPN1PTPN7
SCHEMBL25248130 0.82 PTPN22 (1.00) AKT1PTPN22PTPN5PTPN1PTPN7
SCHEMBL14444606 0.82 PTPN22 (1.00) AKT1PTPN22PTPN5PTPN1PTPN7
SCHEMBL25248127 0.82 PTPN22 (1.00) AKT1PTPN22PTPN5PTPN1PTPN7
SCHEMBL25420537 0.82 AKT1 (0.70) AKT1PTPN22PTPN5PTPN1PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190707-A1 SELECTIVE INHIBITORS OF AKT AND METHODS OF USING SAME SANFORD-BURNHAM RESEARCH INSTITUTE 2012-07-26 US disclosed
US-20120190707-A1 SELECTIVE INHIBITORS OF AKT AND METHODS OF USING SAME SANFORD-BURNHAM RESEARCH INSTITUTE 2012-07-26 US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
EP-1802297-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION BURNHAM INST (US) 2011-03-30 EP disclosed
US-20100168162-A1 SELECTIVE INHIBITORS OF AKT AND METHODS OF USING SAME THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-07-01 US disclosed
US-20090312352-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-17 US disclosed
US-20090131474-A1 SCREENING METHODS FOR PROTEIN KINASE B INHIBITORS EMPLOYING VIRTUAL DOCKING APPROACHES AND COMPOUNDS AND COMPOSITIONS DISCOVERED THEREBY BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2009-05-21 US disclosed
US-20090131474-A1 SCREENING METHODS FOR PROTEIN KINASE B INHIBITORS EMPLOYING VIRTUAL DOCKING APPROACHES AND COMPOUNDS AND COMPOSITIONS DISCOVERED THEREBY BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2009-05-21 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 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 (5 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-20090131474-A1 SCREENING METHODS FOR PROTEIN KINASE B INHIBITORS EMPLOYING VIRTUAL DOCKING APPROACHES AND COMPOUNDS AND COMPOSITIONS DISCOVERED THEREBY AKT1S1, AKT1, PIK3CA AKT1 2/4885PTPN22 917/4885PTPN5 656/4885
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 AKT1 964/4885PTPN22 3638/4885PTPN5 4472/4885
US-20120190707-A1 SELECTIVE INHIBITORS OF AKT AND METHODS OF USING SAME AKT1S1, AKT1, PIK3CA AKT1 2/4885PTPN22 656/4885PTPN5 439/4885
US-20090312352-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION PTPRS, PTPRO, PTPN5 AKT1 355/4885PTPN22 9/4885PTPN5 3/4885
US-20100168162-A1 SELECTIVE INHIBITORS OF AKT AND METHODS OF USING SAME AKT1S1, AKT1, PIK3CA AKT1 2/4885PTPN22 855/4885PTPN5 504/4885

“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.