SCHEMBL1979508

SCHEMBL1979508

O=C1CC(Cc2ccccc2)Oc2ccc(Br)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.56
AR P10275 5/20 0.53
SIGMAR1 Q99720 2/20 0.49
HTR1A P08908 1/20 0.49
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
ABCB1 P08183 2/20 0.46
CYP19A1 P11511 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
CYP3A4 P08684 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM2 Q14416 1/20 0.39
CTRB1 P17538 1/20 0.38
APP P05067 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL9818896 1.00 PBRM1 (0.56) PBRM1ARSIGMAR1HTR1AMAOB
SCHEMBL19584927 0.87 PBRM1 (0.53) PBRM1ARSIGMAR1HTR1AMAOB
SCHEMBL9819034 0.84 SIGMAR1 (0.49) ARSIGMAR1HTR1AMAOBABCB1
SCHEMBL11377847 0.83 SIGMAR1 (0.66) ARSIGMAR1HTR1AMAOBABCB1
SCHEMBL19585579 0.82 PBRM1 (0.51) PBRM1ARSIGMAR1HTR1AMAOB
SCHEMBL9819081 0.81 SIGMAR1 (0.46) ARSIGMAR1HTR1AMAOBABCB1
SCHEMBL15537413 0.80 PBRM1 (0.66) PBRM1ARMAOBMAOAABCB1
SCHEMBL10368729 0.80 HRH3 (0.41) ARSIGMAR1HTR1AGRM2MAPT
SCHEMBL15589544 0.78 PBRM1 (0.58) PBRM1ARSIGMAR1HTR1AMAOB
SCHEMBL15537839 0.78 PBRM1 (0.62) PBRM1ARMAOBMAOAABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407410-B2 Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-09-10 US disclosed
US-10407410-B2 Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-09-10 US disclosed
US-20190127351-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
US-20190127351-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
EP-3455215-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2019-03-20 EP disclosed
WO-2017195113-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-11-16 WO disclosed
WO-2017195113-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-11-16 WO disclosed
US-9242973-B2 Chromane compounds COMENTIS, INC. (US) 2016-01-26 US disclosed
US-9242973-B2 Chromane compounds COMENTIS, INC. (US) 2016-01-26 US disclosed
US-20150225386-A1 CHROMANE COMPOUNDS COMENTIS, INC. 2015-08-13 US disclosed
US-8975415-B2 Chromane compounds COMENTIS, INC. (US) 2015-03-10 US disclosed
US-8975415-B2 Chromane compounds COMENTIS, INC. (US) 2015-03-10 US disclosed
US-20140179695-A1 CHROMANE COMPOUNDS COMENTIS, INC. (US) 2014-06-26 US disclosed
US-20140179695-A1 CHROMANE COMPOUNDS COMENTIS, INC. (US) 2014-06-26 US disclosed
WO-2013181202-A2 CHROMANE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2013-12-05 WO disclosed
WO-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO disclosed
EP-0230379-B1 CHROMAN- AND THIOCHROMAN-4-ACETIC ACIDS USEFUL IN THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1991-04-03 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 (4 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-10407410-B2 Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication TYMP, TYMS, DUT PBRM1 1538/4885AR 2471/4885SIGMAR1 4189/4885
US-20140179695-A1 CHROMANE COMPOUNDS BACE1, BACE2, APP PBRM1 2533/4885AR 3824/4885SIGMAR1 4602/4885
US-20150225386-A1 CHROMANE COMPOUNDS BACE1, BACE2, APP PBRM1 1992/4885AR 3923/4885SIGMAR1 4084/4885
US-20190127351-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION TYMP, TYMS, DUT PBRM1 1538/4885AR 2471/4885SIGMAR1 4189/4885

“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.