SCHEMBL2030632

SCHEMBL2030632

NC(CC(=O)O)Cc1csc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.51
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
DPP4 P27487 2/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CMA1 P23946 1/20 0.44
OPRD1 P41143 1/20 0.43
CASP1 P29466 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
JUN P05412 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 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
SCHEMBL2032877 1.00 CYP2A6 (0.51) CYP2A6POLBTAAR1DPP4DPP8
SCHEMBL2030630 1.00 CYP2A6 (0.51) CYP2A6POLBTAAR1DPP4DPP8
SCHEMBL29478399 1.00 CYP2A6 (0.51) CYP2A6POLBTAAR1DPP4DPP8
SCHEMBL29478377 1.00 CYP2A6 (0.51) CYP2A6POLBTAAR1DPP4DPP8
Hydrochloric Acid SCHEMBL28184427 0.99 CYP2A6 (0.50) CYP2A6POLBTAAR1DPP4DPP8
Hydrochloric Acid SCHEMBL28184426 0.99 CYP2A6 (0.50) CYP2A6POLBTAAR1DPP4DPP8
SCHEMBL24704555 0.83 CYP2A6 (0.46) CYP2A6POLBTAAR1DPP4DPP8
SCHEMBL3604160 0.82 CPA1 (0.53) CYP2A6POLBTAAR1DPP4DPP8
SCHEMBL3604155 0.82 CPA1 (0.53) CYP2A6POLBTAAR1DPP4DPP8
SCHEMBL514508 0.82 CYP2A6 (0.54) CYP2A6POLBTAAR1DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107254348-A A kind of strong repairing agent for automobile 惠州大亚湾易驰汽车科技有限公司 2017-10-17 CN claimed
US-20250367300-A1 Nanomaterial and Methods of Use Thereof UNIVERSITY OF CONNECTICUT (US) 2025-12-04 US disclosed
US-20250302762-A1 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2025-10-02 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-4578867-A1 CYCLIC PEPTIDE OR SALT THEREOF AND MDMX INHIBITOR FUJIFILM Corporation (JP) 2025-07-02 EP disclosed
EP-4578868-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
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 4602/4885POLB 358/4885TAAR1 1079/4885
US-20250179119-A1 CYCLIC PEPTIDE OR SALT THEREOF, AND MDMX INHIBITOR MLX, BMX, ADM2 CYP2A6 4862/4885POLB 3684/4885TAAR1 4572/4885
US-20250367300-A1 Nanomaterial and Methods of Use Thereof EPCAM, CD47, JAK2 CYP2A6 1254/4885POLB 2256/4885TAAR1 2664/4885
US-20250302762-A1 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF JAK2, JAK1, CHMP4B CYP2A6 2514/4885POLB 2629/4885TAAR1 670/4885
US-20250179120-A1 CYCLIC PEPTIDE OR SALT THEREOF, AND MDMX INHIBITOR MDN1, MLX, BMX CYP2A6 4863/4885POLB 3079/4885TAAR1 4590/4885
US-20250084410-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS THEREOF RNGTT, TRMT1, OSGEP CYP2A6 4278/4885POLB 423/4885TAAR1 3365/4885
US-20130123169-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM CYP2A6 4343/4885POLB 4449/4885TAAR1 3035/4885
US-20130210745-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES IL33, TPR, CDC37 CYP2A6 4537/4885POLB 4144/4885TAAR1 1851/4885
US-20130274205-A1 PEPTIDOMIMETIC MACROCYCLES PROKR1, GLP1R, PROKR2 CYP2A6 4800/4885POLB 3111/4885TAAR1 4365/4885

“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.