SCHEMBL16112737

SCHEMBL16112737

CC(=O)Nc1ccc2c(=O)c(C(=O)O)c[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
CYP1A2 P05177 2/20 0.56
MAOA P21397 1/20 0.56
MEN1 O00255 1/20 0.56
ALOX12 P18054 1/20 0.56
KMT2A Q03164 1/20 0.56
CFTR P13569 5/20 0.54
MDH2 P40926 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ERCC1 P07992 1/20 0.48
FEN1 P39748 1/20 0.48
ERCC4 Q92889 1/20 0.48
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 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
SCHEMBL11143397 0.85 PTPN22 (0.60) ALDH1A1HPGDCYP1A2MAOAMEN1
SCHEMBL2050601 0.81 CYP1A2 (0.59) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL29953772 0.81 CYP1A2 (0.59) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL3815260 0.81 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL5256927 0.78 IMPDH2 (0.55) ALDH1A1HPGDMAOAKMT2ACFTR
SCHEMBL2974546 0.78 ALDH1A1 (0.62) ALDH1A1HPGDCYP1A2MEN1ALOX12
Imidazole SCHEMBL11198550 0.76 PTPN22 (0.51) ALDH1A1HPGDCYP1A2MAOAMEN1
SCHEMBL11147757 0.76 POLB (0.42) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL11146356 0.76 POLB (0.47) ALDH1A1HPGDCYP1A2MEN1ALOX12
SCHEMBL18589525 0.76 CYP1A2 (0.64) ALDH1A1HPGDCYP1A2MEN1ALOX12

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 11 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-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-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 ALDH1A1 4531/4885HPGD 2716/4885CYP1A2 2823/4885
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 ALDH1A1 4531/4885HPGD 2716/4885CYP1A2 2823/4885
US-10017516-B2 BMP inhibitors and methods of use thereof BMP1, BMPR2, BMP2 ALDH1A1 4531/4885HPGD 2716/4885CYP1A2 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.