SCHEMBL2032875

SCHEMBL2032875

N[C@@H](CC(=O)O)Cc1cc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.50
ASIC3 Q9UHC3 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
AGXT P21549 1/20 0.46
BCL2L1 Q07817 1/20 0.45
MMP1 P03956 1/20 0.45
FCER2 P06734 1/20 0.45
ADRB2 P07550 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR5 Q9H228 1/20 0.42
AKR1B1 P15121 1/20 0.42

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
SCHEMBL2030629 1.00 CYP2A6 (0.50) CYP2A6ASIC3LOXL2AGXTBCL2L1
SCHEMBL22255835 0.83 CYP2A6 (0.46) CYP2A6ASIC3LOXL2AGXTMMP1
SCHEMBL514507 0.82 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTBCL2L1
SCHEMBL1062090 0.82 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTBCL2L1
SCHEMBL4626056 0.82 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTBCL2L1
SCHEMBL16461209 0.80 CYP2A6 (0.58) CYP2A6ASIC3LOXL2AGXTBCL2L1
SCHEMBL631264 0.76 CYP2A6 (0.61) CYP2A6ASIC3LOXL2AGXTBCL2L1
SCHEMBL29534459 0.76 CYP2A6 (0.61) CYP2A6ASIC3LOXL2AGXTBCL2L1
SCHEMBL7026459 0.75 AGXT (0.49) CYP2A6ASIC3LOXL2AGXTBCL2L1
Trifluoroacetic Acid SCHEMBL6161390 0.75 S1PR4 (0.46) CYP2A6ASIC3LOXL2AGXTBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250367300-A1 Nanomaterial and Methods of Use Thereof UNIVERSITY OF CONNECTICUT (US) 2025-12-04 US disclosed
US-20250302971-A1 Therapeutic Nanomaterials UNIV CONNECTICUT (US) 2025-10-02 US disclosed
US-20250229081-A1 NANOMATERIAL COATED ELECTRODE AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT 2025-07-17 US disclosed
EP-4578868-A1 CYCLIC PEPTIDE OR SALT THEREOF, AND MDMX INHIBITOR FUJIFILM Corporation (JP) 2025-07-02 EP disclosed
EP-4578867-A1 CYCLIC PEPTIDE OR SALT THEREOF AND MDMX INHIBITOR FUJIFILM Corporation (JP) 2025-07-02 EP disclosed
US-20250179120-A1 CYCLIC PEPTIDE OR SALT THEREOF, AND MDMX INHIBITOR FUJIFILM CORPORATION (JP) 2025-06-05 US disclosed
US-20250179119-A1 CYCLIC PEPTIDE OR SALT THEREOF, AND MDMX INHIBITOR FUJIFILM CORPORATION (JP) 2025-06-05 US disclosed
US-20250084410-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS THEREOF Synthorx, Inc. (US) 2025-03-13 US disclosed
EP-4504732-A2 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF University of Connecticut (US) 2025-02-12 EP disclosed
US-12214043-B2 Therapeutic nanomaterials UNIVERSITY OF CONNECTICUT 2025-02-04 US disclosed
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2013-10-17 US disclosed
US-20130266597-A1 Small Cationic Antimicrobial Peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-10-10 US disclosed
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-8343475-B2 Small cationic antimicrobial peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-01-01 US disclosed
US-20110236429-A1 Small Cationic Antimicrobial Peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-09-29 US disclosed
US-20110150917-A1 Small Cationic Antimicrobial Peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-06-23 US disclosed
EP-2061886-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES The University of British Columbia (CA) 2009-05-27 EP disclosed
WO-2008151434-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-12-18 WO disclosed
WO-2008022444-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-02-28 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 (9 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-20250302971-A1 Therapeutic Nanomaterials TIE1, TEKT1, POLRMT CYP2A6 4602/4885ASIC3 2241/4885LOXL2 4561/4885
US-20250179119-A1 CYCLIC PEPTIDE OR SALT THEREOF, AND MDMX INHIBITOR MLX, BMX, ADM2 CYP2A6 4862/4885ASIC3 1824/4885LOXL2 4577/4885
US-20250367300-A1 Nanomaterial and Methods of Use Thereof EPCAM, CD47, JAK2 CYP2A6 1254/4885ASIC3 958/4885LOXL2 2542/4885
US-20250179120-A1 CYCLIC PEPTIDE OR SALT THEREOF, AND MDMX INHIBITOR MDN1, MLX, BMX CYP2A6 4863/4885ASIC3 2181/4885LOXL2 4530/4885
US-20250084410-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS THEREOF RNGTT, TRMT1, OSGEP CYP2A6 4278/4885ASIC3 4365/4885LOXL2 3701/4885
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM CYP2A6 4343/4885ASIC3 3081/4885LOXL2 3892/4885
US-12214043-B2 Therapeutic nanomaterials TIE1, TEKT1, POLRMT CYP2A6 4602/4885ASIC3 2241/4885LOXL2 4561/4885
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES IL33, TPR, CDC37 CYP2A6 4537/4885ASIC3 2688/4885LOXL2 1624/4885
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES PROKR1, GLP1R, PROKR2 CYP2A6 4800/4885ASIC3 2215/4885LOXL2 3207/4885

“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.