SCHEMBL1494488

SCHEMBL1494488

O=S(=O)(CCC(F)(F)F)Nc1cccc(Br)c1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
BRAF P15056 7/20 0.39
PTGES2 Q9H7Z7 8/20 0.37
PSIP1 O75475 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA2 P00918 1/20 0.32

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
SCHEMBL1494445 0.82 CYP3A4 (0.55) BRAFPSIP1CYP3A4CYP2C9CYP2C19
SCHEMBL17557850 0.81 BRAF (0.43) BRAFPTGES2PSIP1CYP3A4CYP2C9
SCHEMBL1873297 0.76 BRAF (0.42) PTGS1PTGS2BRAF
SCHEMBL22190937 0.73 SMN1; SMN2 (0.44) PTGS1PTGS2BRAFPTGES2PSIP1
SCHEMBL3019846 0.73 CYP3A4 (0.49) PTGS1PTGS2BRAFPSIP1CYP3A4
SCHEMBL29356384 0.73 SMN1; SMN2 (0.44) PTGS1PTGS2BRAFPTGES2PSIP1
SCHEMBL1494607 0.73 PTGS1 (0.38) PTGS1PTGS2BRAFPSIP1CYP3A4
SCHEMBL7869189 0.72 CYP2C9 (0.70) PTGS1PTGS2BRAFPSIP1CYP3A4
SCHEMBL913405 0.70 BRAF (0.56) PTGS1PTGS2BRAFCYP3A4CYP2C9
SCHEMBL18921155 0.70 PSIP1 (0.42) PTGES2PSIP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859548-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2014-10-14 US disclosed
EP-2470528-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2014-10-01 EP disclosed
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS AG (CH) 2014-01-09 US disclosed
US-8563553-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-09-06 US disclosed
US-8242260-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
EP-2470528-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2012-07-04 EP disclosed
WO-2011023773-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-03 WO disclosed
US-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-03 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 (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-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF PTGS1 2925/4885PTGS2 3476/4885BRAF 2/4885
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF PTGS1 2925/4885PTGS2 3476/4885BRAF 2/4885
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF PTGS1 2925/4885PTGS2 3476/4885BRAF 2/4885

“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.