SCHEMBL2831697

SCHEMBL2831697

CC(=O)Oc1ccc(NC=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HSP90AA1 P07900 1/20 0.58
LMNA P02545 3/20 0.53
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
PKM P14618 3/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.47
TTR P02766 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ELANE P08246 1/20 0.47
HSD17B10 Q99714 2/20 0.46
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
NPC1 O15118 1/20 0.42

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
SCHEMBL10467423 0.83 MAPT (0.56) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL14384466 0.82 ELANE (0.51) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL11810932 0.81 MEN1 (0.47) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL11808720 0.81 MEN1 (0.49) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL9592440 0.81 NPSR1 (0.48) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL8395395 0.80 ELANE (0.59) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL28098390 0.80 KMT2A (0.54) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL10387416 0.79 MAPT (0.85) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL396146 0.79 MEN1 (0.59) MAPTGAAALDH1A1HSP90AA1LMNA
SCHEMBL269329 0.78 LMNA (0.80) MAPTGAAALDH1A1HSP90AA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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-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
EP-1161499-A1 AZOXY DYES AND THEIR CU COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 2001-12-12 EP 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-2000055259-A1 AZOXY DYES AND THEIR CU COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 2000-09-21 WO disclosed
EP-1017399-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF University of Pittsburgh (US) 2000-07-12 EP disclosed
WO-2000035924-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 2000-06-22 WO disclosed
WO-1999009996-A1 CAMPTOTHECIN ANALOGS AND METHODS OF PREPARATION THEREOF UNIVERSITY OF PITTSBURGH (US) 1999-03-04 WO disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP 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 (2 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-20070259905-A1 Camptothecin analogs and methods of preparation thereof ADCY9, BCL9, ADCY10 MAPT 4866/4885GAA 4840/4885ALDH1A1 1767/4885
US-20080269169-A1 Camptothecin analogs and methods of preparation thereof TOP2A, TOP1, TOP2B MAPT 3906/4885GAA 588/4885ALDH1A1 2593/4885

“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.