SCHEMBL4510271

SCHEMBL4510271

CC(C)(C)OC(=O)NNC1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.43
KDM1A O60341 1/20 0.42
EPHX2 P34913 2/20 0.41
CTSK P43235 2/20 0.41
CYP2C9 P11712 1/20 0.40
HSD11B1 P28845 1/20 0.40
GAA P10253 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BTK Q06187 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNA3 P22001 1/20 0.37

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
SCHEMBL29191941 0.85 CTSK (0.52) EPHX1EPHX2CTSKCYP2C9HSD11B1
SCHEMBL12276428 0.85 EPHX1 (0.46) EPHX1CTSKCYP2C9HSD11B1GAA
SCHEMBL3169231 0.84 EPHX2 (0.47) EPHX1EPHX2CTSKCYP2C9HSD11B1
SCHEMBL13208 0.84 EPHX1 (0.58) EPHX1EPHX2CTSKCYP2C9HSD11B1
Acetic Acid SCHEMBL25356110 0.81 EPHX1 (0.56) EPHX1EPHX2CYP2C9HSD11B1ALDH1A1
SCHEMBL8202964 0.81 EPHX1 (0.43) EPHX1CTSKCYP2C9HSD11B1GAA
SCHEMBL12539827 0.80 CTSK (0.46) EPHX1CTSKCYP2C9HSD11B1GAA
SCHEMBL13999540 0.80 HSD11B1 (0.57) EPHX1CTSKCYP2C9HSD11B1CA1
SCHEMBL18061088 0.80 CA1 (0.49) EPHX1CTSKCYP2C9HSD11B1GAA
SCHEMBL18061103 0.79 HSD11B1 (0.47) EPHX1CTSKCYP2C9HSD11B1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232286-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-20090156554-A1 P13-KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-20060106013-A1 PI3-kinases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-18 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 (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-20090156554-A1 P13-KINASES PIK3C3, PDPK1, MAP3K13 EPHX1 3488/4885KDM1A 4330/4885EPHX2 3883/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD EPHX1 3760/4885KDM1A 4014/4885EPHX2 4266/4885

“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.