SCHEMBL538984

SCHEMBL538984

O=C(O)Cc1ccccc1-c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.57
AKR1B1 P15121 2/20 0.53
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
PTGS2 P35354 2/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL7827157 0.88 AKR1B1 (0.67) CXCL8AKR1B1TDP1LMNAPTGS2
SCHEMBL9890644 0.87 CXCL8 (0.53) CXCL8AKR1B1TDP1LMNARAB9A
SCHEMBL9890652 0.84 CXCL8 (0.50) CXCL8AKR1B1PTGS2
SCHEMBL9890682 0.84 CXCL8 (0.50) CXCL8AKR1B1PTGS2PTGDR2
SCHEMBL9890684 0.84 CXCL8 (0.50) CXCL8AKR1B1PTGS2PTGDR2
SCHEMBL9890654 0.84 CXCL8 (0.50) CXCL8AKR1B1
SCHEMBL9890678 0.84 CXCL8 (0.49) CXCL8AKR1B1LMNARAB9APTGS2
SCHEMBL29533621 0.84 CXCL8 (0.65) CXCL8AKR1B1TDP1LMNARAB9A
SCHEMBL8645 0.84 CXCL8 (0.65) CXCL8AKR1B1TDP1LMNARAB9A
SCHEMBL2391854 0.83 ALDH1A1 (0.45) CXCL8LMNARAB9AALDH1A1

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 53 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
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
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
US-8980890-B2 Compositions and methods of treating cell proliferation disorders KINEX PHARMACEUTICALS, LLC (US) 2015-03-17 US disclosed
US-20140213587-A1 Biaryl Compositions and Methods for Modulating a Kinase Cascade KINEX PHARMACEUTICALS, LLC (US) 2014-07-31 US disclosed
US-20050026849-A1 Water soluble formulations of digitalis glycosides for treating cell-proliferative and other diseases TRINITY LABORATORIES, INC. 2005-02-03 US disclosed
WO-2004087121-A2 WATER SOLUBLE FORMULATIONS OF DIGITALIS GLYCOSIDES FOR TREATING CELL-PROLIFERATIVE AND OTHER DISEASES AZAYA THERAPEUTICS, INC. (US) 2004-10-14 WO disclosed
US-20040014695-A1 Mixture of cytolysis drug and cyclodextrin; side effect reduction; reducing ulcers SUPERGEN, INC. 2004-01-22 US disclosed
US-6583125-B2 Antiulceration effective amount of a substituted cyclodextrin compound and a cytotoxic drug, especially an anticancer drug; side effect reduction SUPERGEN, INC. 2003-06-24 US disclosed
US-20020058634-A1 Formulation of nitrogen mustard SUPERGEN, INC. 2002-05-16 US disclosed
US-6284747-B1 MIXTURE OF CYCLODEXTRIN AND CYTOTOXIC AGENT SUPERGEN, INC. 2001-09-04 US disclosed
US-6218374-B1 ADMINISTERING TO HOST, PREPARATION COMPRISING CYTOTOXIC COMPOUND THAT HAS POTENTIAL FOR CAUSING ULCERATION AND SUBSTITUTED CYCLODEXTRIN COMPOUND FOR REDUCING ULCERATION AND IRRITATION SUPERGEN, INC. 2001-04-17 US disclosed
US-6048845-A ANTIULCER AGENT; MIXTURE OF CYCLODEXTRI AD CYTOTOXIC DRUG SUPERGEN, INC. (US) 2000-04-11 US disclosed
US-5824668-A Formulation for administration of steroid compounds SUPERGEN, INC. (US) 1998-10-20 US disclosed
US-5804568-A PARENTERAL ADMINISTRATION OF CYTOTOXIC DRUG MIXED WITH ANTIULCERATIVE AMOUNT OF SUBSTITUTED CYCLODEXTRIN; SIDE EFFECT REDUCTION SUPERGEN, INC. (US) 1998-09-08 US 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 (8 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 CXCL8 3327/4885AKR1B1 2103/4885TDP1 2298/4885
US-20140213587-A1 Biaryl Compositions and Methods for Modulating a Kinase Cascade MAP3K3, MAP3K2, MAP3K20 CXCL8 3492/4885AKR1B1 2759/4885TDP1 1443/4885
US-20240050438-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 CXCL8 3492/4885AKR1B1 2759/4885TDP1 1443/4885
US-20170196874-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 CXCL8 3492/4885AKR1B1 2759/4885TDP1 1443/4885
US-10196357-B2 Biaryl compositions and methods for modulating a kinase cascade MAP3K2, MAP3K3, MAP3K6 CXCL8 3885/4885AKR1B1 1684/4885TDP1 2252/4885
US-20210252008-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE MAP3K3, MAP3K2, MAP3K20 CXCL8 3492/4885AKR1B1 2759/4885TDP1 1443/4885
US-20150182532-A1 COMPOSITIONS AND METHODS OF TREATING CELL PROLIFERATION DISORDERS MKI67, CCNC, CCNA1 CXCL8 1944/4885AKR1B1 1372/4885TDP1 2054/4885
US-20050026849-A1 Water soluble formulations of digitalis glycosides for treating cell-proliferative and other diseases NISCH, CANX, DSC1 CXCL8 1746/4885AKR1B1 3392/4885TDP1 2271/4885

“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.