SCHEMBL3560937

SCHEMBL3560937

CN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.64
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX1 P07099 1/20 0.41
CA3 P07451 2/20 0.40
CA5A P35218 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
CTSK P43235 3/20 0.38
GPR88 Q9GZN0 1/20 0.36

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
SCHEMBL10223282 0.87 CA14 (0.48) CA14POLBMEN1KMT2ACA12
SCHEMBL5464993 0.85 CA14 (0.80) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10231797 0.84 CA14 (0.78) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL3574542 0.81 TDP1 (0.50) CA14MEN1KMT2AEPHX1CA12
SCHEMBL1631023 0.81 CA14 (0.42) CA14ALDH1A1SMN1; SMN2FPR3FPR2
SCHEMBL5070506 0.81 CA14 (0.42) CA14MEN1KMT2ACA12CA7
SCHEMBL24215034 0.81 CA14 (0.69) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL13567947 0.81 CA14 (0.61) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL25932928 0.80 CA14 (0.72) CA14ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6946470 0.80 CA14 (0.76) CA14ALDH1A1POLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557979-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2013-10-15 US disclosed
US-8557979-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2013-10-15 US disclosed
US-20120296084-A1 Carbapenem Antibacterials with Gram-Negative Activity and Processes for Their Preparation FOB SYNTHESIS, INC. (US) 2012-11-22 US disclosed
US-8232268-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2012-07-31 US disclosed
US-20100160284-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC., (US) 2010-06-24 US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-7683049-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2010-03-23 US disclosed
EP-2134343-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
EP-1126838-A4 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-02-16 EP disclosed
EP-1456203-A1 ETHYLENE DIAMINE DERIVATIVES AND THEIR USE AS OREXIN-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP disclosed
US-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2003-11-06 US disclosed
US-6593347-B2 Especially a nitrosated and/or nitrosylated arylpropionic acid, arylacetic acid, enolic anilide or an oxicam NITROMED, INC. 2003-07-15 US disclosed
US-6586475-B1 5-chloro-N-(2-N,N-diethylamino)ethyl)-2- methoxy-4-(1-naphthoylamino)benzamide and prodrugs, used for prevention of neurodegenarative diseases such as Alzheimer's disease TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-01 US disclosed
WO-2003051872-A1 ETHYLENE DIAMINE DERIVATIVES AND THEIR USE AS OREXIN-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-26 WO disclosed
US-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NICOX S.A. (FR) 2002-02-07 US disclosed
US-6297260-B1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. 2001-10-02 US disclosed
EP-1126838-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-08-29 EP disclosed
WO-2000025776-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-11 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 (4 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-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NOS2, NOS3, NOS1 CA14 1147/4885ALDH1A1 1076/4885POLB 3012/4885
US-20120296084-A1 Carbapenem Antibacterials with Gram-Negative Activity and Processes for Their Preparation MGAM, GSK3B, GSK3A CA14 1340/4885ALDH1A1 3694/4885POLB 337/4885
US-20100160284-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION MGAM, GSK3B, GSK3A CA14 1340/4885ALDH1A1 3694/4885POLB 337/4885
US-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NOS2, NOS1, NOS3 CA14 2679/4885ALDH1A1 360/4885POLB 4189/4885

“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.