SCHEMBL2830738

SCHEMBL2830738

CC(C)(C)OC(=O)Nc1ccc(NC=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.50
PSMB8 P28062 1/20 0.48
NAMPT P43490 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
MAP4K4 O95819 1/20 0.44
PTPN11 Q06124 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPKAPK2 P49137 2/20 0.41
DRD2 P14416 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LIPE Q05469 1/20 0.41
MAPK14 Q16539 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL13055402 0.87 CYP17A1 (0.59) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL2831546 0.84 HDAC3 (0.51) CYP17A1NAMPTCA12CA1CA9
SCHEMBL418939 0.83 CYP17A1 (0.54) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL14861049 0.82 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL23619661 0.82 SMN1; SMN2 (0.62) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL20865536 0.82 CYP17A1 (0.68) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL21021336 0.81 CA12 (0.50) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL437131 0.80 CYP17A1 (0.54) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL11925396 0.80 SMN1; SMN2 (0.66) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL977487 0.80 CYP17A1 (0.54) CYP17A1PSMB8NAMPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862675-B1 Method of N-formylating amines with a phosphonic anhydride KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2018-01-09 US disclosed
US-7655640-B2 Camptothecin analogs and methods of preparation thereof UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-02-02 US disclosed
US-7514418-B2 Camptothecin analogs and methods of preparation thereof University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2009-04-07 US disclosed
EP-1017399-B1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIV PITTSBURGH (US) 2008-12-24 EP disclosed
US-20080269169-A1 Camptothecin analogs and methods of preparation thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-30 US disclosed
EP-1140948-A4 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIV PITTSBURGH (US) 2008-01-02 EP disclosed
US-20070259905-A1 Camptothecin analogs and methods of preparation thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-08 US disclosed
US-7271159-B2 Camptothecin analogs and methods of preparation thereof UNIVERSITY OF PITTSBURGH (US) 2007-09-18 US disclosed
US-6743917-B2 7-(TRIALKYLSILYLALKYL)-CAMPTOTHECIN OF GIVEN FORMULA BY CYCLIZING A 4-HYDROXY-6-HALO,7-(TRIALKYLSILYLALKYL)-3,4,7,8-TETRAHYDRO-1H-PYRANO(3,4 -C)PYRIDIN-3,8-DIONE WITH AN ARYL ISONITRILE UNIVERSITY OF PITTSBURGH 2004-06-01 US disclosed
US-20040029835-A1 Camptothecin analogs and methods of preparation thereof UNIVERSITY OF PITTSBURGH 2004-02-12 US disclosed
US-20030105324-A1 Camptothecin analogs and methods of preparation thereof CURRAN DENNIS P (US) 2003-06-05 US disclosed
US-20020193598-A1 Camptothecin analogs and methods of preparation thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-19 US disclosed
US-6455699-B1 SUCH AS (20S)10-HYDROXY-7-TERT-BUTYLDIMETHYLSILYL-CAMPHTOTHECIN; ANTITUMOR AGENTS; SOLUBILITY; BIOAVAILABILITY/ BIODISTRIBUTION UNIVERSITY OF PITTSBURGH 2002-09-24 US disclosed
EP-1140948-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 2001-10-10 EP disclosed
US-6150343-A 10-HYDROXY-7-SUBSTITUTED SILYLCAMPTOTHECIN DERIVATIVE IS USED AS ANTICARCINOGENIC AND ANTITUMOR AGENT UNIVERSITY OF PITTSBURGH (US) 2000-11-21 US disclosed
US-6136978-A CYCLIZING SILYL COMPOUND WITH ARYL ISONITRILE COMPOUND TO FORM SILYL CAMPTOTHECIN DERIVATIVE UNIVERSITY OF PITTSBURGH (US) 2000-10-24 US disclosed
WO-2000035924-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 2000-06-22 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 (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-20020193598-A1 Camptothecin analogs and methods of preparation thereof TOP1, TOP2A, TOP2B CYP17A1 359/4885PSMB8 2844/4885NAMPT 3692/4885
US-20070259905-A1 Camptothecin analogs and methods of preparation thereof ADCY9, BCL9, ADCY10 CYP17A1 706/4885PSMB8 3255/4885NAMPT 1514/4885
US-20030105324-A1 Camptothecin analogs and methods of preparation thereof HCCS, ADCY10, TOP2A CYP17A1 582/4885PSMB8 3365/4885NAMPT 2931/4885
US-20080269169-A1 Camptothecin analogs and methods of preparation thereof TOP2A, TOP1, TOP2B CYP17A1 418/4885PSMB8 2396/4885NAMPT 407/4885
US-20040029835-A1 Camptothecin analogs and methods of preparation thereof HCCS, ADCY10, TOP2A CYP17A1 582/4885PSMB8 3365/4885NAMPT 2931/4885

“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.