SCHEMBL1767417

SCHEMBL1767417

Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)N3C(=O)CCC3=O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
KDM4E B2RXH2 9/20 0.43
ALDH1A1 P00352 8/20 0.43
HPGD P15428 7/20 0.43
HSD17B10 Q99714 3/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 3/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL1193133 0.94 TDP1 (0.39) TDP1CA12CA1CA9KDM4E
SCHEMBL30276268 0.85 TDP1 (0.48) TDP1CA12CA1CA9KDM4E
SCHEMBL30887566 0.83 CA12 (0.48) TDP1CA12CA1CA9KDM4E
SCHEMBL30205792 0.82 KDM4E (0.58) TDP1CA12CA1CA9KDM4E
SCHEMBL30607050 0.81 TDP1 (0.49) TDP1CA12CA1CA9KDM4E
SCHEMBL17312337 0.81 TDP1 (0.49) TDP1CA12CA1CA9KDM4E
SCHEMBL29543547 0.81 TDP1 (0.44) TDP1CA12CA1CA9KDM4E
SCHEMBL15571611 0.81 TDP1 (0.44) TDP1CA12CA1CA9KDM4E
SCHEMBL2967595 0.80 RAB9A (0.52) TDP1CA12CA1CA9KDM4E
SCHEMBL29544088 0.80 CA12 (0.49) TDP1CA12CA1CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3589743-B1 RECOVERY MEDIUM FOR DETECTION OF MICROORGANISMS BY FLUORESCENCE AMERICAN STERILIZER CO (US) 2023-06-21 EP disclosed
WO-2022006232-A2 DRUG REPURPOSING FOR TREATMENT OF VIRAL INFECTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-01-06 WO disclosed
US-20210171576-A1 METHODS FOR TREATING CANCER WITH ACYLDEPSIPEPTIDE ANALOGS HOURY WALID A (CA) 2021-06-10 US disclosed
US-10301631-B2 Biological indicator AMERICAN STERILIZER COMPANY (US) 2019-05-28 US disclosed
US-20180273957-A1 BIOLOGICAL INDICATOR AMERICAN STERILIZER CO (US) 2018-09-27 US disclosed
WO-2018160449-A1 RECOVERY MEDIUM FOR DETECTION OF MICROORGANISMS BY FLUORESCENCE AMERICAN STERILIZER COMPANY (US) 2018-09-07 WO disclosed
US-20180245122-A1 RECOVERY MEDIUM FOR DETECTION OF MICROORGANISMS BY FLUORESCENCE AMERICAN STERILIZER COMPANY 2018-08-30 US disclosed
EP-2970992-B1 STERILIZATION INDICATOR INCLUDING A SIMPLIFIED GENETICALLY ENGINEERED BIOLOGICAL INDICATOR AMERICAN STERILIZER CO (US) 2018-07-25 EP disclosed
US-10017772-B2 Biological indicator AMERICAN STERILIZER COMPANY (US) 2018-07-10 US disclosed
US-10011843-B2 Biological indicator AMERICAN STERILIZER COMPANY (US) 2018-07-03 US disclosed
US-20080070231-A1 Reporter genes taken up by microorganism, and repressor gene inhibits expression AMERICAN STERILIZER COMPANY 2008-03-20 US disclosed
US-20060142171-A1 Novel alkaline protease FORSKARPATENT I SYD AB (SE) 2006-06-29 US disclosed
US-20060127385-A1 Method for sustaining enos activity THE TRUSTEES OF BOSTON UNIVERSITY (US) 2006-06-15 US disclosed
EP-1611235-A1 NOVEL ALKALINE PROTEASE Forskarpatent i Syd AB (SE) 2006-01-04 EP disclosed
WO-2004085639-A9 NOVEL ALKALINE PROTEASE FORSKARPATENT I SYD AB (SE) 2005-11-10 WO disclosed
WO-2004085639-A1 NOVEL ALKALINE PROTEASE FORSKARPATENT I SYD AB (SE) 2004-10-07 WO disclosed
WO-2004052364-A1 METHODS FOR SUSTAINING eNOS ACTIVITY THE TRUSTEES OF BOSTON UNIVERSITY (US) 2004-06-24 WO disclosed
US-6448245-B1 CONTACTING THE CALPAIN WITH AN EFFECTIVE AMOUNT OF AN HIV PROTEASE INHIBITOR, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-09-10 US disclosed
US-20020115665-A1 METHODS OF AND COMPOUNDS FOR INHIBITING CALPAINS THE GOVERNMENT OF THE USA, AS REPRESENTED BY TH SECRETARY, DEPARTMENT 2002-08-22 US disclosed
WO-2001082919-A2 METHODS OF AND COMPOUNDS FOR INHIBITING CALPAINS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-11-08 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 (1 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-20020115665-A1 METHODS OF AND COMPOUNDS FOR INHIBITING CALPAINS CAPNS1, CAPN1, CAPN9 TDP1 548/4885CA12 3086/4885CA1 925/4885

“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.