SCHEMBL2884635

SCHEMBL2884635

O=C(NNC(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.59
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CA3 P07451 2/20 0.40
CA5A P35218 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
EPHX1 P07099 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 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
SCHEMBL23148225 0.87 CA2 (0.48) CA2ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL31194869 0.86 CA2 (0.53) CA2ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL26894046 0.85 CA2 (0.46) CA2ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL8241782 0.85 CA2 (0.46) CA2ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL14791601 0.81
SCHEMBL31326896 0.81
SCHEMBL10757374 0.81 ALDH1A1 (0.50) CA2ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL20582657 0.81 CA2 (0.42) CA2ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL6643083 0.81 CA2 (0.42) CA2ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL8496257 0.81 CA2 (0.42) CA2ALDH1A1POLBSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693540-A Synthesis method of sitagliptin intermediate 江苏八巨药业有限公司 2023-09-05 CN disclosed
CN-112358484-B Preparation method of sitagliptin intermediate 江苏八巨药业有限公司 2022-04-19 CN disclosed
US-8715395-B2 Fluorinated metal-organic frameworks for hydrocarbon storage UNIVERSITY OF NORTH TEXAS (US) 2014-05-06 US disclosed
US-8715395-B2 Fluorinated metal-organic frameworks for hydrocarbon storage UNIVERSITY OF NORTH TEXAS (US) 2014-05-06 US disclosed
EP-1761532-B1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2013-04-10 EP disclosed
US-8343260-B2 Fluorinated metal-organic frameworks for gas storage UNIVERSITY OF NORTH TEXAS (US) 2013-01-01 US disclosed
US-8343260-B2 Fluorinated metal-organic frameworks for gas storage UNIVERSITY OF NORTH TEXAS (US) 2013-01-01 US disclosed
US-8343260-B2 Fluorinated metal-organic frameworks for gas storage UNIVERSITY OF NORTH TEXAS (US) 2013-01-01 US disclosed
US-20120118153-A1 FLUORINATED METAL-ORGANIC FRAMEWORKS FOR HYDROCARBON STORAGE THE UNIVERSITY OF NORTH TEXAS (US) 2012-05-17 US disclosed
US-20120118153-A1 FLUORINATED METAL-ORGANIC FRAMEWORKS FOR HYDROCARBON STORAGE THE UNIVERSITY OF NORTH TEXAS (US) 2012-05-17 US disclosed
US-20100282080-A1 FLUORINATED METAL-ORGANIC FRAMEWORKS FOR GAS STORAGE UNIVERSITY OF NORTH TEXAS 2010-11-11 US disclosed
US-20100282080-A1 FLUORINATED METAL-ORGANIC FRAMEWORKS FOR GAS STORAGE UNIVERSITY OF NORTH TEXAS 2010-11-11 US disclosed
US-20100282080-A1 FLUORINATED METAL-ORGANIC FRAMEWORKS FOR GAS STORAGE UNIVERSITY OF NORTH TEXAS 2010-11-11 US disclosed
EP-1761532-A4 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2009-05-27 EP disclosed
WO-2009035664-A1 FLUORINATED METAL-ORGANIC FRAMEWORKS FOR GAS STORAGE UNIVERSITY OF NORTH TEXAS (US) 2009-03-19 WO disclosed
WO-2009035664-A1 FLUORINATED METAL-ORGANIC FRAMEWORKS FOR GAS STORAGE UNIVERSITY OF NORTH TEXAS (US) 2009-03-19 WO disclosed
US-7482336-B2 Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2009-01-27 US disclosed
US-20070254865-A1 2-substituted phenyl-5-fused heteroaryl cyclohexylamines; may be coadministered with metformin; non-insulin dependent diabetes MERCK SHARP & DOHME LLC 2007-11-01 US disclosed
EP-1761532-A1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2007-03-14 EP disclosed
WO-2006009886-A1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-01-26 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-20120118153-A1 FLUORINATED METAL-ORGANIC FRAMEWORKS FOR HYDROCARBON STORAGE TRPM8, TRPA1, PFAS CA2 497/4885ALDH1A1 4413/4885POLB 2778/4885
US-20070254865-A1 2-substituted phenyl-5-fused heteroaryl cyclohexylamines; may be coadministered with metformin; non-insulin dependent diabetes DPP4, DPP3, DPP7 CA2 1114/4885ALDH1A1 1103/4885POLB 2641/4885

“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.