SCHEMBL16112294

SCHEMBL16112294

CCOC(=O)c1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.70
ALDH1A1 P00352 9/20 0.60
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 2/20 0.60
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 3/20 0.50
TSHR P16473 2/20 0.50
NPC1 O15118 5/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
CDC25B P30305 1/20 0.47

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
SCHEMBL8107490 0.86 ALDH1A1 (0.77) RAB9AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL24315862 0.81 ALDH1A1 (0.53) RAB9AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL21200870 0.81 ALDH1A1 (0.53) RAB9AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL5540923 0.80 ALDH1A1 (0.53) RAB9AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL5524128 0.78 KMT2A (0.60) RAB9AALDH1A1CYP1A2MAPK1HSD17B10
SCHEMBL8119344 0.77 ALDH1A1 (0.73) RAB9AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL8115574 0.77 ALDH1A1 (0.64) RAB9AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL7687953 0.76 ALDH1A1 (0.62) RAB9AALDH1A1CYP1A2HSD17B10NPSR1
SCHEMBL8122562 0.75 ALDH1A1 (0.61) RAB9AALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL19850569 0.75 ALDH1A1 (1.00) RAB9AALDH1A1CYP1A2CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017516-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-10 US disclosed
US-10017516-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-10 US disclosed
US-10017516-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-10 US disclosed
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 US disclosed
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 US disclosed
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 US disclosed
US-9682983-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-06-20 US disclosed
US-9682983-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-06-20 US disclosed
US-9682983-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-06-20 US disclosed
US-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2016-02-18 US disclosed
US-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2016-02-18 US disclosed
US-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2016-02-18 US disclosed
EP-2970311-A2 BMP INHIBITORS AND METHODS OF USE THEREOF The Brigham and Women's Hospital, Inc. (US) 2016-01-20 EP disclosed
WO-2014160203-A2 BMP INHIBITORS AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-10-02 WO disclosed
WO-2014160203-A2 BMP INHIBITORS AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-10-02 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 (3 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-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF BMP1, BMPR2, BMP2 RAB9A 1917/4885ALDH1A1 4531/4885CYP1A2 2823/4885
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 RAB9A 1917/4885ALDH1A1 4531/4885CYP1A2 2823/4885
US-10017516-B2 BMP inhibitors and methods of use thereof BMP1, BMPR2, BMP2 RAB9A 1917/4885ALDH1A1 4531/4885CYP1A2 2823/4885

“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.