SCHEMBL2961647

SCHEMBL2961647

N#Cc1[c]cccc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.35
GAA P10253 1/20 0.32
HSD11B1 P28845 1/20 0.31
SCN9A Q15858 1/20 0.30

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
SCHEMBL16961460 0.82 HSD11B1 (0.34) HSD11B1SCN9A
SCHEMBL16952938 0.82 KCNH2 (0.31)
SCHEMBL17046411 0.78 KDM4E (0.36) GAA
SCHEMBL1191364 0.76 CA1 (0.41) GAA
SCHEMBL6735306 0.75 KCNN4 (0.33) GAA
SCHEMBL4404035 0.73 AR (0.36) SLC22A12HSD11B1SCN9A
SCHEMBL622920 0.73 DDB1 (0.34) GAAHSD11B1SCN9A
SCHEMBL160453 0.73 EPHX2 (0.35) GAAHSD11B1SCN9A
SCHEMBL4290698 0.72 AR (0.38) SLC22A12
SCHEMBL591521 0.72 GRIA1 (0.36) SLC22A12GAAHSD11B1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759390-B2 chemokine receptor 9(CCR9) antagonists such as, 5-Chloro-thiophene-2-sulfonic acid (4-cyano-2-methyl-phenyl)-amide, used for treating autimmune and inflammatory diseases, transplantat rejection and cancer NOVARTIS AG (CH) 2010-07-20 US claimed
US-20080300295-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-12-04 US claimed
EP-1966182-A1 INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2008-09-10 EP claimed
WO-2007071440-A1 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 WO claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-3167716-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-17 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-7759390-B2 chemokine receptor 9(CCR9) antagonists such as, 5-Chloro-thiophene-2-sulfonic acid (4-cyano-2-methyl-phenyl)-amide, used for treating autimmune and inflammatory diseases, transplantat rejection and cancer NOVARTIS AG (CH) 2010-07-20 US disclosed
US-20080300295-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-12-04 US disclosed
US-20080275114-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-11-06 US disclosed
US-6683029-B1 Halopyrimidines BAYER AKTIENGESELLSCHAFT (DE) 2004-01-27 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-20080300295-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 SLC22A12 2846/4885GAA 3634/4885HSD11B1 960/4885
US-20080275114-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 SLC22A12 2675/4885GAA 1568/4885HSD11B1 585/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX SLC22A12 2211/4885GAA 1006/4885HSD11B1 1807/4885

“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.