SCHEMBL1818665

SCHEMBL1818665

O=S(=O)(Nc1cccc(CO)c1F)c1cc(F)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.48
CYP3A4 P08684 2/20 0.45
SLC16A3 O15427 1/20 0.44
BRAF P15056 3/20 0.44
ERN1 O75460 1/20 0.43
PTK2B Q14289 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACLY P53396 4/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
CCR2 P41597 1/20 0.40

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
SCHEMBL1817827 0.80 PTGES2 (0.49) PTGES2CYP3A4BRAFERN1PTK2B
SCHEMBL574453 0.80 PTGES2 (0.54) PTGES2CYP3A4BRAFERN1PTK2B
SCHEMBL28422630 0.79 SLC40A1 (0.49) PTGES2BRAFERN1CCR2
SCHEMBL27830664 0.76 PTGES2 (0.48) PTGES2CYP3A4BRAFERN1PTK2B
SCHEMBL29721313 0.76 CYP3A4 (0.52) PTGES2CYP3A4BRAFERN1SMN1; SMN2
SCHEMBL29721254 0.76 CYP3A4 (0.52) PTGES2CYP3A4BRAFERN1SMN1; SMN2
SCHEMBL1127184 0.76 CYP3A4 (0.52) PTGES2CYP3A4BRAFERN1SMN1; SMN2
SCHEMBL25449978 0.73 PTGES2 (0.50) PTGES2CYP3A4BRAFERN1ACLY
SCHEMBL30161625 0.73 PTGES2 (0.50) PTGES2CYP3A4BRAFERN1ACLY
SCHEMBL3020003 0.73 PTGES2 (0.53) PTGES2CYP3A4BRAFERN1ACLY

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-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
EP-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 US disclosed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 WO disclosed
WO-2011063159-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-26 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 (2 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-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, KRAS, RAF1 PTGES2 994/4885CYP3A4 2604/4885SLC16A3 2221/4885
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, KRAS, RAF1 PTGES2 994/4885CYP3A4 2604/4885SLC16A3 2221/4885

“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.