SCHEMBL717650

SCHEMBL717650

NC(CCC[C@H](N)C(=O)O)C(=O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.49
GRM4 Q14833 1/20 0.49
ALDH1A1 P00352 1/20 0.49
APP P05067 1/20 0.49
GAA P10253 1/20 0.49
HCAR3 P49019 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
SIRT4 Q9Y6E7 1/20 0.47
PLOD2 O00469 1/20 0.46
EPHX2 P34913 2/20 0.45
NOS1 P29475 3/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL27951597 0.84 TBXAS1 (0.50) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL9763970 0.83 LMNA (0.56) ALDH1A1F7F3SARM1SIRT2
SCHEMBL10591572 0.82 POLB (0.51) NOS1
SCHEMBL9755844 0.82 POLB (0.51) NOS1
Lysine SCHEMBL7592433 0.82 ALDH1A1 (0.57) GRM8GRM4ALDH1A1APPGAA
Lysine SCHEMBL28059210 0.82 ALDH1A1 (0.57) GRM8GRM4ALDH1A1APPGAA
SCHEMBL9219567 0.82 GRM8 (0.46) GRM8GRM4ALDH1A1APPGAA
SCHEMBL10592278 0.81 GRM8 (0.48) GRM8GRM4ALDH1A1PLOD2NOS1
SCHEMBL9755838 0.81 GRM8 (0.48) GRM8GRM4ALDH1A1PLOD2NOS1
SCHEMBL2238928 0.81 EPHX2 (0.70) ALDH1A1EPHX2CYP2C9CYP2C19THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815248-B2 Labeled chemically reactive and biologically active conjugates, and methods and compositions thereof SUN YI (US) 2020-10-27 US disclosed
US-10226416-B2 Hair conditioning composition for permanent and semi-permanent hair coloration applications CLARIANT INTERNATIONAL LTD. (CH) 2019-03-12 US disclosed
US-20180258099-A1 NOVEL LABELED CHEMICALLY REACTIVE AND BIOLOGICALLY ACTIVE COMJUGATES, AND METHODS AND COMPOSITIONS THEREOF SUN YI (US) 2018-09-13 US disclosed
EP-3367096-A1 DETECTION OF INTRACELLULAR BINDING EVENTS BY MEASURING PROTEIN ABUNDANCE DiscoveRx Corporation (US) 2018-08-29 EP disclosed
EP-2830583-B1 HAIR CONDITIONING COMPOSITION FOR PERMANENT AND SEMI-PERMANENT HAIR COLORATION APPLICATIONS CLARIANT INT LTD (CH) 2018-05-23 EP disclosed
US-9951085-B2 Labeled chemically reactive and biologically active comjugates, and methods and compositions thereof SUN YI (US) 2018-04-24 US disclosed
US-20180099997-A1 VIBRO-BASED DELIVERY SYSTEM AND IMMUNE SUPPRESSION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-04-12 US disclosed
US-9845341-B2 Vibro-based delivery system and immune suppression THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-12-19 US disclosed
US-9828393-B2 Silylalkyloxyaryl compounds and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-11-28 US disclosed
US-9388449-B2 Monitoring protein trafficking using beta-galactosidase reporter fragment complementation DISCOVERX CORPORATION (US) 2016-07-12 US disclosed
WO-2001043871-A2 MICROARRAY HYBRIDIZATION CHAMBER INCYTE GENOMICS, INC. (US) 2001-06-21 WO disclosed
EP-1105404-A1 PURIFICATION OF OLIGOMERS USING DUAL-END SELECTION Bayer Corporation (US) 2001-06-13 EP disclosed
US-6186659-B1 Apparatus and method for mixing a film of fluid AGILENT TECHNOLOGIES INC. 2001-02-13 US disclosed
EP-1062230-A1 METHOD FOR INCREASING THE SERUM HALF-LIFE OF A BIOLOGICALLY ACTIVE MOLECULE Chiron Corporation (US) 2000-12-27 EP disclosed
WO-2000026262-A2 FUNCTIONALIZED POLYMERIC SUBSTRATES FOR BINDING MOLECULAR MOIETIES MITOKOR (US) 2000-05-11 WO disclosed
WO-2000012524-A1 PURIFICATION OF OLIGOMERS USING DUAL-END SELECTION BAYER CORPORATION (US) 2000-03-09 WO disclosed
WO-2000011022-A1 ANTI-CANCER COMPOUNDS AND METHODS RELATED THERETO STEWART JOHN M (US) 2000-03-02 WO disclosed
WO-1999045026-A1 METHOD FOR INCREASING THE SERUM HALF-LIFE OF A BIOLOGICALLY ACTIVE MOLECULE CHIRON CORPORATION (US) 1999-09-10 WO disclosed
US-5840835-A MAJOR HISTOCOMPATIBILITY COMPLEX; USED IN THE TREATMENT AND PREVENTION OF AUTOIMMUNE DISEASES MERCK & CO., INC. (US) 1998-11-24 US disclosed
WO-1997016188-A1 NOVEL INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS MERCK & CO., INC. (US) 1997-05-09 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-20180258099-A1 NOVEL LABELED CHEMICALLY REACTIVE AND BIOLOGICALLY ACTIVE COMJUGATES, AND METHODS AND COMPOSITIONS THEREOF CD44, GUSB, PAICS GRM8 3542/4885GRM4 4175/4885ALDH1A1 543/4885
US-10815248-B2 Labeled chemically reactive and biologically active conjugates, and methods and compositions thereof GUSB, PAICS, CD44 GRM8 3752/4885GRM4 4260/4885ALDH1A1 332/4885

“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.