SCHEMBL538898

SCHEMBL538898

O=C(O)Cc1ccc(-c2ccccc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.53
ABCC4 O15439 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 1/20 0.48
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
MMP3 P08254 2/20 0.47
MMP9 P14780 2/20 0.47
MMP12 P39900 2/20 0.47
MMP13 P45452 2/20 0.47
MMP14 P50281 2/20 0.47
MMP8 P22894 1/20 0.47
MMP16 P51512 1/20 0.47
FFAR1 O14842 1/20 0.47
CXCL8 P10145 2/20 0.46

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
SCHEMBL31147931 0.89 MMP1 (0.50) LMNATSHRHTTRXRARXRB
SCHEMBL4936502 0.88 RXRA (0.47) LMNATSHRRXRARXRBRXRG
SCHEMBL27717138 0.86 PTGS1 (0.53) PTGS1ABCC4LMNAGAATSHR
SCHEMBL11724859 0.85 AKR1B1 (0.59) PTGS1ABCC4LMNAGAATSHR
SCHEMBL5156156 0.83 PTGS1 (0.59) PTGS1ABCC4LMNAGAATSHR
SCHEMBL29064768 0.79 KIF11 (0.43) LMNAGAAHTTFFAR1AKR1C2
SCHEMBL17859649 0.79 FFAR1 (0.43) FFAR1AKR1C2AKR1C1DCLRE1ADCLRE1B
SCHEMBL7391266 0.79 DGAT1 (0.54) PTGS1ABCC4LMNAGAATSHR
SCHEMBL10516116 0.79 ACMSD (0.58) PTGS1ABCC4LMNAGAATSHR
SCHEMBL30595407 0.79 ACMSD (0.58) PTGS1ABCC4LMNAGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240050438-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE ATHENEX, INC. 2024-02-15 US disclosed
CN-117551097-A Sophoridine tricyclic derivative and application thereof in preparation of medicines for resisting hepatic fibrosis or liver cancer 中国人民解放军海军军医大学 2024-02-13 CN disclosed
US-20220119347-A1 BIARYL COMPOSITIONS IN COMBINATION WITH TAMOXIFEN AND METHODS FOR MODULATING A KINASE CASCADE SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2022-04-21 US disclosed
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2021-08-19 US disclosed
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade ATHENEX, INC. (US) 2019-02-05 US disclosed
US-20170196874-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE OAKTREE FUND ADMINISTRATION, LLC 2017-07-13 US disclosed
US-9655903-B2 Compositions and methods of treating cell proliferation disorders ATHENEX, INC. (US) 2017-05-23 US disclosed
US-9580387-B2 Biaryl compositions and methods for modulating a kinase cascade ATHENEX, INC. (US) 2017-02-28 US disclosed
CN-103274961-B The Compounds and methods for for the treatment of cell generation disorders KINEX PHARMACEUTICALS LLC (US) 2016-05-18 CN disclosed
US-20150182532-A1 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2015-07-02 US disclosed
WO-2008127728-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-10-23 WO disclosed
WO-2008002676-A9 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS LLC (US) 2008-07-03 WO disclosed
WO-2008002676-A2 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-01-03 WO disclosed
US-7300931-B2 Compositions for treating cell proliferation disorders KINEX PHARMACEUTICALS, LLC (US) 2007-11-27 US disclosed
EP-1836169-A2 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS Kinex Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2007-08-23 US disclosed
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2007-01-18 US disclosed
US-20060160800-A1 Morpholino-2-[6-(2-Ethoxy-phenyl)-pyridin-3-yl]-benzyl)-acetamide compound; as anti-proliferative agents, for treating mammals SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2006-07-20 US disclosed
WO-2006071960-A2 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS KINEX PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed
WO-2005092062-A2 COMPOUNDS FOR NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2005-10-06 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 (9 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-20220119347-A1 BIARYL COMPOSITIONS IN COMBINATION WITH TAMOXIFEN AND METHODS FOR MODULATING A KINASE CASCADE MAP3K2, MAP3K6, MAP3K8 PTGS1 1638/4885ABCC4 3389/4885LMNA 2551/4885
US-20070015752-A1 Biaryl compositions and methods for modulating a kinase cascade MAP3K3, MAP3K2, MAP3K20 PTGS1 3137/4885ABCC4 4137/4885LMNA 1904/4885
US-20060160800-A1 Morpholino-2-[6-(2-Ethoxy-phenyl)-pyridin-3-yl]-benzyl)-acetamide compound; as anti-proliferative agents, for treating mammals MKI67, PCNA, CCAR2 PTGS1 1234/4885ABCC4 3632/4885LMNA 1629/4885
US-20240050438-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 PTGS1 3137/4885ABCC4 4137/4885LMNA 1904/4885
US-20170196874-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 PTGS1 3137/4885ABCC4 4137/4885LMNA 1904/4885
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade MAP3K2, MAP3K3, MAP3K6 PTGS1 2639/4885ABCC4 3656/4885LMNA 1520/4885
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 PTGS1 3137/4885ABCC4 4137/4885LMNA 1904/4885
US-20150182532-A1 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS MKI67, CCNC, CCNA1 PTGS1 363/4885ABCC4 4311/4885LMNA 341/4885
US-20070197783-A1 Compositions and methods of treating cell proliferation disorders MKI67, CCNC, CCNA1 PTGS1 363/4885ABCC4 4311/4885LMNA 341/4885

“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.