SCHEMBL1615442

SCHEMBL1615442

CC1(C(=O)O)C=CC(C(=O)O)=CC1N

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 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
SCHEMBL1616094 0.79 SRD5A2 (0.33) SRD5A2
SCHEMBL9081992 0.75
SCHEMBL27772356 0.68 SRD5A2 (0.30) SRD5A2
SCHEMBL16774611 0.67
SCHEMBL27833958 0.67 SRD5A2 (0.32) SRD5A2
SCHEMBL28850169 0.67 SRD5A2 (0.32) SRD5A2
SCHEMBL27584931 0.66 SRD5A2 (0.31) SRD5A2
SCHEMBL31403431 0.66 SRD5A2 (0.31) SRD5A2
SCHEMBL28760436 0.64 SRD5A2 (0.30) SRD5A2
SCHEMBL27660605 0.64 SRD5A2 (0.30) SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200041905-A1 RESIST UNDERLYING FILM-FORMING COMPOSITION CONTAINING AN AMIDE GROUP-CONTAINING POLYESTER NISSAN CHEMICAL CORPORATION (JP) 2020-02-06 US disclosed
EP-2917203-B1 METHOD FOR IDENTIFYING MYC INHIBITORS DANA FARBER CANCER INST INC (US) 2019-04-03 EP disclosed
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-9198872-B2 Dendritic and hyperbranched polymers for cellular encapsulation and functionalization UNIVERSITY OF MIAMI (US) 2015-12-01 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
US-8728520-B2 Cross-linked alginate-polyalkylene glycol polymer coatings for encapsulation and methods of making the same UNIVERSITY OF MIAMI (US) 2014-05-20 US disclosed
US-20120328673-A1 DENDRITIC AND HYPERBRANCHED POLYMERS FOR CELLULAR ENCAPSULATION AND FUNCTIONALIZATION UNIVERSITY OF MIAMI (US) 2012-12-27 US disclosed
EP-2114158-B1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMA INC (US) 2012-08-08 EP disclosed
US-8076496-B2 Chemoselective ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-13 US disclosed
US-20070037964-A1 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-15 US disclosed
US-20060276658-A1 Chemoselective ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-12-07 US disclosed
US-7122703-B2 Chemoselective ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-10-17 US disclosed
EP-1185869-B1 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICALS AG (DE) 2006-07-26 EP disclosed
EP-1263771-B1 CHEMOSELECTIVE LIGATION BY USE OF A PHOSPHINE UNIV CALIFORNIA (US) 2006-06-14 EP disclosed
US-20050148032-A1 Chemoselective ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-07-07 US disclosed
US-20030199084-A1 Chemoselective ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-10-23 US disclosed
US-6570040-B2 Condensation of specifically engineered phosphine which can provide for formation of amide bond between two reactive partners resulting in product comprising a phosphine moiety or which can be engineered to comprise a cleavable linker THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-27 US disclosed
US-20020016003-A1 Chemoselective ligation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-02-07 US disclosed
WO-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 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-20120328673-A1 DENDRITIC AND HYPERBRANCHED POLYMERS FOR CELLULAR ENCAPSULATION AND FUNCTIONALIZATION TLR9, CD44, ITGAL SRD5A2 4864/4885
US-20020016003-A1 Chemoselective ligation PTMS, QPCT, DNPEP SRD5A2 4614/4885
US-20060276658-A1 Chemoselective ligation PTMS, PGF, ACSL3 SRD5A2 4676/4885
US-20030199084-A1 Chemoselective ligation PTMS, QPCT, DNPEP SRD5A2 4614/4885
US-20070037964-A1 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product PTMS, PHOSPHO1, QPCT SRD5A2 4496/4885
US-20200041905-A1 RESIST UNDERLYING FILM-FORMING COMPOSITION CONTAINING AN AMIDE GROUP-CONTAINING POLYESTER PHF2, KLF10, MACF1 SRD5A2 1895/4885
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS MYC, MYCBP, YAP1 SRD5A2 3135/4885
US-20050148032-A1 Chemoselective ligation PTMS, QPCT, DNPEP SRD5A2 4614/4885

“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.