SCHEMBL1670472

SCHEMBL1670472

COC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.56
SORT1 Q99523 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KLKB1 P03952 4/20 0.52
PTGS1 P23219 1/20 0.51
MAPT P10636 5/20 0.50
THRB P10828 2/20 0.50
CARM1 Q86X55 3/20 0.48
POLB P06746 1/20 0.48
KCNJ6 P48051 1/20 0.48
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
PTGS2 P35354 1/20 0.47
TP53 P04637 1/20 0.47
NR3C2 P08235 1/20 0.46
F10 P00742 1/20 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
SCHEMBL12361464 0.85 ALDH1A1 (0.53) GRNSORT1KDM4EALDH1A1KLKB1
SCHEMBL950904 0.84 GRN (0.72) GRNSORT1SMN1; SMN2KDM4EALDH1A1
SCHEMBL21100762 0.83 KLKB1 (0.53) KLKB1CARM1
SCHEMBL1668298 0.82 PTGS1 (0.56) KDM4EALDH1A1PTGS1MAPTPOLB
SCHEMBL2254831 0.82 RXRA (0.48) KDM4EALDH1A1PTGS1PTGS2NR3C2
SCHEMBL3280902 0.81 GRN (0.56) GRNSORT1KDM4EALDH1A1KLKB1
SCHEMBL27584609 0.81 KLKB1 (0.61) GRNSORT1KDM4EALDH1A1KLKB1
SCHEMBL22143171 0.80 F10 (0.46) KLKB1PTGS1MAPTCARM1PTGS2
SCHEMBL28825868 0.80 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1MAPTKCNJ6KCNJ5
SCHEMBL69400 0.80 SMN1; SMN2 (0.60) GRNSORT1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689629-B Process for preparing 3-fluoroalkyl-5-pyrazole carboxylic acid esters and 3-fluoroalkyl-5-pyrazole carboxylic acids 拜耳作物科学股份公司 2022-11-29 CN disclosed
EP-3515893-B1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AG (DE) 2020-10-21 EP disclosed
EP-3515893-B1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AG (DE) 2020-10-21 EP disclosed
US-10668051-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2020-06-02 US disclosed
US-10556867-B2 Process for preparing 3-fluoroalkyl-5-pyrazolecarboxylates and 3-fluoroalkyl-5-pyrazolecarboxylic acids BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-11 US disclosed
US-10556867-B2 Process for preparing 3-fluoroalkyl-5-pyrazolecarboxylates and 3-fluoroalkyl-5-pyrazolecarboxylic acids BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-11 US disclosed
EP-3515893-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS Bayer CropScience Aktiengesellschaft (DE) 2019-07-31 EP disclosed
US-20190225586-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-25 US disclosed
US-20190225586-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-25 US disclosed
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2019-05-30 US disclosed
EP-3299361-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL Rhizen Pharmaceuticals S.A. (CH) 2018-03-28 EP disclosed
US-20170313690-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2017-11-02 US disclosed
US-9758514-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2017-09-12 US disclosed
US-20150166526-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL RHIZEN PHARMACEUTICALS AG (CH) 2015-06-18 US disclosed
US-8921364-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2014-12-30 US disclosed
US-20130310377-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL Rhizen Phamaceuticals SA (CH) 2013-11-21 US disclosed
US-8377970-B2 Modulators of calcium release-activated calcium channel RHIZEN PHARMACEUTICALS SA (CH) 2013-02-19 US disclosed
EP-2509955-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL Rhizen Pharmaceuticals S.A. (CH) 2012-10-17 EP disclosed
US-20110105447-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-05 US disclosed
WO-2011042797-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE -ACTIVATED CALCIUM CHANNEL ICOZEN THERAPEUTICS PVT. LTD. (IN) 2011-04-14 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 (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-20110105447-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E GRN 3759/4885SORT1 4609/4885SMN1; SMN2 4130/4885
US-10668051-B2 Modulators of calcium release-activated calcium channel ORAI1, CACNB2, CACNB1 GRN 3603/4885SORT1 4634/4885SMN1; SMN2 4104/4885
US-20170313690-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E GRN 3759/4885SORT1 4609/4885SMN1; SMN2 4130/4885
US-20190160046-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E GRN 3759/4885SORT1 4609/4885SMN1; SMN2 4130/4885
US-20130310377-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E GRN 3759/4885SORT1 4609/4885SMN1; SMN2 4130/4885
US-20150166526-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL ORAI1, CACNB2, CACNA1E GRN 3759/4885SORT1 4609/4885SMN1; SMN2 4130/4885
US-20190225586-A1 PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS KYAT3, PFKFB3, PFKFB1 GRN 2469/4885SORT1 3747/4885SMN1; SMN2 4792/4885
US-10556867-B2 Process for preparing 3-fluoroalkyl-5-pyrazolecarboxylates and 3-fluoroalkyl-5-pyrazolecarboxylic acids KYAT3, PFKFB3, PFKFB1 GRN 2469/4885SORT1 3747/4885SMN1; SMN2 4792/4885

“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.