SCHEMBL17949007

SCHEMBL17949007

CN(C)c1ccc(/C=C/c2sc(CN)nc2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ APP P05067 5/20 0.40
▸ EGFR P00533 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ INSR P06213 2/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ MAOB P27338 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ HDAC3 O15379 1/20 0.36

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
SCHEMBL17948781 0.77 PTPRC (0.42) APPKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL17949005 0.73 EGFR (0.42) HSD17B3RELAAPPEGFRKMT2A
SCHEMBL27577772 0.66 ALDH1A1 (0.45) KMT2AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL13206646 0.65 RELA (0.50) HSD17B3RELAAPPKMT2AMEN1
SCHEMBL13467434 0.64 RELA (0.81) HSD17B3RELAAPPKMT2AMEN1
SCHEMBL3025040 0.64 RELA (0.81) HSD17B3RELAAPPKMT2AMEN1
SCHEMBL1714446 0.64 RELA (0.81) HSD17B3RELAAPPKMT2AMEN1
SCHEMBL1714449 0.64 RELA (0.81) HSD17B3RELAAPPKMT2AMEN1
SCHEMBL7915381 0.64 RELA (0.81) HSD17B3RELAAPPKMT2AMEN1
SCHEMBL29389358 0.63 RELA (0.77) HSD17B3RELAAPPKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230046194-A1 Ribosome-Mediated Incorporation of Peptides and Peptidomimetics ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-02-16 — — US disclosed
US-10745705-B2 Ribosome-mediated incorporation of peptides and peptidomimetics ARIZON BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2020-08-18 — — US disclosed
US-20180002709-A1 RIBOSOME-MEDIATED INCORPORATION OF PEPTIDES AND PEPTIDOMIMETICS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-01-04 — — US disclosed
WO-2016118877-A1 RIBOSOME-MEDIATED INCORPORATION OF PEPTIDES AND PEPTIDOMIMETICS ARIZON BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2016-07-28 — — 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 (3 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-20180002709-A1 RIBOSOME-MEDIATED INCORPORATION OF PEPTIDES AND PEPTIDOMIMETICS NPEPPS, DNPEP, AARS1 HSD17B3 4786/4885RELA 1859/4885APP 2606/4885
US-20230046194-A1 Ribosome-Mediated Incorporation of Peptides and Peptidomimetics NPEPPS, DNPEP, AARS1 HSD17B3 4786/4885RELA 1859/4885APP 2606/4885
US-10745705-B2 Ribosome-mediated incorporation of peptides and peptidomimetics NPEPPS, DNPEP, AARS1 HSD17B3 4786/4885RELA 1859/4885APP 2606/4885

“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.

Send feedback