SCHEMBL16808265

SCHEMBL16808265

COc1ccc(-c2c3ccc(=O)cc-3oc3cc(OC)ccc23)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 6/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 4/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51
MAOB P27338 4/20 0.49
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.48
APP P05067 1/20 0.48
TNKS O95271 1/20 0.47
CYP19A1 P11511 1/20 0.47
USP2 O75604 3/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL18504843 0.94 MAOB (0.49) ALDH1A1KDM4EHPGDHSD17B10CYP2C9
SCHEMBL23623802 0.92 CYP2C9 (0.45) ALDH1A1KDM4EHPGDHSD17B10CYP2C9
SCHEMBL12909280 0.92 MEN1 (0.59) ALDH1A1KDM4EHPGDHSD17B10CYP2C9
SCHEMBL12909298 0.90 STS (0.44) ALDH1A1KDM4EHPGDHSD17B10CYP2C9
SCHEMBL15390246 0.90 KMT2A (0.48) ALDH1A1KDM4EHPGDHSD17B10CYP2C9
SCHEMBL18947824 0.90 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10CYP2C9
SCHEMBL12909311 0.89 CYP1A2 (0.43) ALDH1A1KDM4EHPGDHSD17B10CYP2C9
SCHEMBL12909312 0.88 CYP2C9 (0.42) ALDH1A1KDM4EHPGDHSD17B10CYP2C9
SCHEMBL12909314 0.88 CYP1A2 (0.42) ALDH1A1KDM4EHPGDHSD17B10CYP2C9
SCHEMBL12909299 0.87 CYP2C9 (0.41) ALDH1A1KDM4EHPGDHSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102583-B1 2,7-DISUBSTITUTED CEPHALOSPORIN DERIVATIVES AS BETA-LACTAMASE SUBSTRATES AND METHODS FOR THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS TEXAS A & M UNIV SYS (US) 2021-08-18 EP disclosed
US-10344165-B2 2,7-disubstituted cephalosporin derivatives as β-lactamase substrates and methods for their use for the diagnosis of tuberculosis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-07-09 US disclosed
US-20180094139-A1 2,7-DISUBSTITUTED CEPHALOSPORIN DERIVATIVES AS BETA-LACTAMASE SUBSTRATES AND METHODS FOR THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-04-05 US disclosed
US-9834681-B2 2,7-disubstituted cephalosporin derivatives as beta-lactamase substrates and methods for their use for the diagnosis of tuberculosis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-12-05 US disclosed
US-9677112-B2 β-lactamase substrates and methods of their use for the diagnosis of tuberculosis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-06-13 US disclosed
WO-2015119962-A1 2,7-DISUBSTITUTED CEPHALOSPORIN DERIVATIVES AS BETA-LACTAMASE SUBSTRATES AND METHODS FOR THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-08-13 WO disclosed
US-20150219653-A1 2,7-DISUBSTITUTED CEPHALOSPORIN DERIVATIVES AS BETA-LACTAMASE SUBSTRATES AND METHODS FOR THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-08-06 US disclosed
US-20150167048-A1 BETA-LACTAMASE SUBSTRATES AND METHODS OF THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-18 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 (4 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-20180094139-A1 2,7-DISUBSTITUTED CEPHALOSPORIN DERIVATIVES AS BETA-LACTAMASE SUBSTRATES AND METHODS FOR THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS NAALAD2, PEPD, DCXR ALDH1A1 656/4885KDM4E 3406/4885HPGD 882/4885
US-20150167048-A1 BETA-LACTAMASE SUBSTRATES AND METHODS OF THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS PGLS, ENGASE, BPHL ALDH1A1 774/4885KDM4E 3809/4885HPGD 699/4885
US-10344165-B2 2,7-disubstituted cephalosporin derivatives as β-lactamase substrates and methods for their use for the diagnosis of tuberculosis NAALAD2, PEPD, COASY ALDH1A1 640/4885KDM4E 3205/4885HPGD 926/4885
US-20150219653-A1 2,7-DISUBSTITUTED CEPHALOSPORIN DERIVATIVES AS BETA-LACTAMASE SUBSTRATES AND METHODS FOR THEIR USE FOR THE DIAGNOSIS OF TUBERCULOSIS NAALAD2, PEPD, DCXR ALDH1A1 656/4885KDM4E 3406/4885HPGD 882/4885

“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.