SCHEMBL586972

SCHEMBL586972

O=C(c1ccccc1)C1C(COc2ccccc2)OC(N2CC=CCNC2=O)C1(F)F

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDA P32320 11/20 0.54
NPSR1 Q6W5P4 1/20 0.33
GRM2 Q14416 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.30

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
SCHEMBL11390386 0.63 POLB (0.59) CDANPSR1ALDH1A1GAA
SCHEMBL23227183 0.63 POLB (0.42) CDANPSR1ALDH1A1GAA
SCHEMBL21901828 0.63 POLB (0.42) CDANPSR1ALDH1A1GAA
SCHEMBL14416498 0.59 TDP1 (0.42) GRM2ALDH1A1
SCHEMBL16693678 0.59 CDA (0.49) CDANPSR1ALDH1A1GAA
SCHEMBL23227181 0.59 CDA (0.49) CDANPSR1ALDH1A1GAA
SCHEMBL24805805 0.59 CDA (0.49) CDANPSR1ALDH1A1GAA
SCHEMBL23467207 0.58 POLB (0.41) CDANPSR1ALDH1A1GAA
SCHEMBL23227166 0.57 CHRNB2 (0.40) NPSR1ALDH1A1GAA
SCHEMBL27798194 0.57 TDP1 (0.48) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2416781-B1 COMBINATION OF CYTIDINE-BASED ANTINEOPLASTIC DRUGS WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER OTSUKA PHARMA CO LTD (JP) 2017-03-08 EP disclosed
EP-2416780-B1 COMBINATION OF DECITABINE WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER OTSUKA PHARMA CO LTD (JP) 2017-03-08 EP disclosed
EP-2417146-B1 (2'-DEOXY-RIBOFURANOSYL)-1,3,4,7-TETRAHYDRO-(1,3)DIAZEPIN-2-ONE DERIVATIVES FOR TREATING CANCER OTSUKA PHARMA CO LTD (JP) 2016-07-13 EP disclosed
US-9040501-B2 Compositions and methods for treating cancer OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-20140221305-A1 Compositions and Methods for Treating Cancer EISAI INC. (US) 2014-08-07 US disclosed
US-8609631-B2 Compositions and methods for treating cancer EISAI INC. (US) 2013-12-17 US disclosed
US-20130116207-A1 Compositions and Methods for Treating Cancer EISAI INC. (US) 2013-05-09 US disclosed
US-8329666-B2 Compositions and methods for treating cancer EISAI INC. (US) 2012-12-11 US disclosed
US-8329665-B2 Compositions and methods for treating cancer EISAI INC. (US) 2012-12-11 US disclosed
US-8324180-B2 Compositions and methods for treating cancer EISAI INC. (US) 2012-12-04 US disclosed
EP-2416781-A1 COMBINATION OF CYTIDINE-BASED ANTINEOPLASTIC DRUGS WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER Eisai Inc. (US) 2012-02-15 EP disclosed
EP-2416780-A1 COMBINATION OF DECITABINE WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER Eisai Inc. (US) 2012-02-15 EP disclosed
EP-2417146-A1 (2 ' -DEOXY-RIBOFURANOSYL) -1,3,4, 7-TETRAHYDRO- (1,3) IAZEPIN-2-0NE DERIVATIVES FOR TREATING CANCER Eisai Inc. (US) 2012-02-15 EP disclosed
US-20100279977-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER EISAI INC. (US) 2010-11-04 US disclosed
US-20100279967-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER EISAI INC. (US) 2010-11-04 US disclosed
US-20100279966-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER EISAI INC. (US) 2010-11-04 US disclosed
WO-2010118010-A1 COMBINATION OF DECITABINE WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER EISAI INC. (US) 2010-10-14 WO disclosed
WO-2010118006-A1 (2 ' -DEOXY-RIBOFURANOSYL) -1,3,4, 7-TETRAHYDRO- (1,3) IAZEPIN-2-0NE DERIVATIVES FOR TREATING CANCER EISAI INC. (US) 2010-10-14 WO disclosed
WO-2010118013-A1 COMBINATION OF CYTIDINE-BASED ANTINEOPLASTIC DRUGS WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER EISAI INC. (US) 2010-10-14 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-20140221305-A1 Compositions and Methods for Treating Cancer RNASE1, UNG, HCCS CDA 537/4885NPSR1 4511/4885GRM2 3704/4885
US-20100279977-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER RNASE1, UNG, HCCS CDA 537/4885NPSR1 4511/4885GRM2 3704/4885
US-20100279967-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER UNG, DUT, DCTD CDA 49/4885NPSR1 4835/4885GRM2 3566/4885
US-20130116207-A1 Compositions and Methods for Treating Cancer RNASE1, UNG, HCCS CDA 537/4885NPSR1 4511/4885GRM2 3704/4885
US-20100279966-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER RNASE1, UNG, HCCS CDA 537/4885NPSR1 4511/4885GRM2 3704/4885

“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.