SCHEMBL2628186

SCHEMBL2628186

CCc1cn(CC(=O)O)nn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYP19A1 P11511 4/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.37
SRC P12931 2/20 0.36
GAA P10253 1/20 0.36
HSP90AB1 P08238 2/20 0.35

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
SCHEMBL18235987 0.85 POLB (0.38) CYP19A1POLBKMT2ASRC
SCHEMBL3730288 0.83 NOTUM (0.49) CYP4F2CYP4A11POLBKMT2AHTT
SCHEMBL28759020 0.83 CYP4F2 (0.43) CYP4F2CYP4A11POLBKMT2AHTT
SCHEMBL21063617 0.81 MAOA (0.47) CYP4F2CYP4A11POLBKMT2AHTT
SCHEMBL4675850 0.81 CYP4F2 (0.43) CYP4F2CYP4A11POLBKMT2AHTT
SCHEMBL2628207 0.81 CYP4F2 (0.40) CYP4F2CYP4A11POLBKMT2AHTT
SCHEMBL18605543 0.81 CYP4F2 (0.40) CYP4F2CYP4A11POLBKMT2AHTT
SCHEMBL15199191 0.81 MAOB (0.43) CYP4F2CYP4A11POLBKMT2AHTT
SCHEMBL21063549 0.81 CYP4F2 (0.40) CYP4F2CYP4A11POLBKMT2A
SCHEMBL16967984 0.81 DGAT1 (0.50) CYP4F2CYP4A11CYP19A1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4276059-A2 CHEMICALLY ENCODED SPATIALLY ADDRESSED LIBRARY SCREENING PLATFORMS City of Hope (US) 2023-11-15 EP disclosed
US-20220125958-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY PURDUE RESEARCH FOUNDATION 2022-04-28 US disclosed
WO-2021079984-A1 NOVEL SUBSTITUTED CONDENSED RING COMPOUND 大日本住友製薬株式会社 2021-04-29 WO disclosed
EP-3777898-A2 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY Endocyte, Inc. (US) 2021-02-17 EP disclosed
US-20190275181-A1 Compounds for Positron Emission Tomography ENDOCYTE INC (US) 2019-09-12 US disclosed
EP-3533473-A2 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY Endocyte, Inc. (US) 2019-09-04 EP disclosed
WO-2018053517-A1 INHIBITORS OF LDLR-PCSK9 PROTEIN-PROTEIN INTERACTION AND METHODS OF THEIR USE THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-03-22 WO disclosed
US-20160287731-A1 Compounds for Positron Emission Tomography ENDOCYTE, INC 2016-10-06 US disclosed
US-20160287731-A1 Compounds for Positron Emission Tomography ENDOCYTE, INC 2016-10-06 US disclosed
US-20150320891-A1 Radioiodinated Fatty Acids GE HEALTHCARE LIMITED (GG) 2015-11-12 US disclosed
US-9138493-B2 Radioiodinated fatty acids GE HEALTHCARE LIMITED (GB) 2015-09-22 US disclosed
WO-2015073678-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY ENDOCYTE, INC. (US) 2015-05-21 WO disclosed
US-20130272960-A1 RADIOIODINATED FATTY ACIDS GE HEALTHCARE LIMITED (GB) 2013-10-17 US disclosed
US-20120100073-A1 PET RADIOTRACERS FOR IMAGING FATTY ACID METABOLISM AND STORAGE WASHINGTON UNIVERSITY (US) 2012-04-26 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 (6 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-20150320891-A1 Radioiodinated Fatty Acids FFAR3, FFAR1, FFAR2 CYP4F2 330/4885CYP4A11 887/4885CYP19A1 533/4885
US-20130272960-A1 RADIOIODINATED FATTY ACIDS FFAR3, FFAR1, FFAR2 CYP4F2 330/4885CYP4A11 887/4885CYP19A1 533/4885
US-20190275181-A1 Compounds for Positron Emission Tomography FOLH1, FOLR2, FOLR1 CYP4F2 2553/4885CYP4A11 4702/4885CYP19A1 2977/4885
US-20160287731-A1 Compounds for Positron Emission Tomography FOLH1, FOLR2, FOLR1 CYP4F2 2553/4885CYP4A11 4702/4885CYP19A1 2977/4885
US-20220125958-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY FOLH1, FOLR2, FOLR1 CYP4F2 2553/4885CYP4A11 4702/4885CYP19A1 2977/4885
US-20120100073-A1 PET RADIOTRACERS FOR IMAGING FATTY ACID METABOLISM AND STORAGE LIPC, PNLIP, FFAR1 CYP4F2 341/4885CYP4A11 1438/4885CYP19A1 727/4885

“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.