SCHEMBL934530

SCHEMBL934530

CC(Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
SLC6A2 P23975 1/20 0.59
SLC7A5 Q01650 1/20 0.53
ESR1 P03372 5/20 0.52
ESR2 Q92731 5/20 0.52
CA2 P00918 1/20 0.50
EPHX1 P07099 1/20 0.50
ACE P12821 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FOLH1 Q04609 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
SCHEMBL14032489 1.00 TAAR1 (0.59) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL13248740 1.00 TAAR1 (0.59) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL15290220 0.85 TAAR1 (0.52) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL23643109 0.84 EPHX1 (0.50) TAAR1SLC6A2ESR1CA2EPHX1
SCHEMBL22937469 0.84 EPHX1 (0.50) TAAR1SLC6A2ESR1EPHX1
SCHEMBL22593510 0.84 EPHX1 (0.50) TAAR1EPHX1GAA
SCHEMBL23643108 0.84 EPHX1 (0.50) TAAR1SLC6A2EPHX1SMN1; SMN2
SCHEMBL12118748 0.84 EPHX1 (0.50) TAAR1EPHX1GAA
SCHEMBL7753247 0.83 TAAR1 (0.57) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL19606520 0.83 TAAR1 (0.49) TAAR1SLC6A2SLC7A5ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11564971-B2 Hyaluronic acid derivative having amino acid and steryl group introduced thereinto CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-01-31 US disclosed
US-20220160849-A1 CANCER VACCINE FORMULATION MIE UNIVERSITY (JP) 2022-05-26 US disclosed
EP-3919072-A1 CANCER VACCINE PREPARATION Mie University (JP) 2021-12-08 EP disclosed
CN-108250191-B 3, 5-disubstituted 2-amino-pyrazine compound and preparation process and application thereof 兰州大学 2020-10-20 CN disclosed
CN-102702013-B Nuclear receptor binding agents GTX INC. (US) 2016-02-10 CN disclosed
US-20150231268-A1 HYALURONIC ACID DERIVATIVE HAVING AMINO ACID AND STERYL GROUP INTRODUCED THEREINTO CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-20 US disclosed
US-20150231268-A1 HYALURONIC ACID DERIVATIVE HAVING AMINO ACID AND STERYL GROUP INTRODUCED THEREINTO CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-20 US disclosed
EP-1844070-B1 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7365090-B2 Substituted phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7365090-B2 Substituted phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US 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 (4 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-20220160849-A1 CANCER VACCINE FORMULATION CD44, TP53, MUC1 TAAR1 4619/4885SLC6A2 4106/4885SLC7A5 983/4885
US-20150231268-A1 HYALURONIC ACID DERIVATIVE HAVING AMINO ACID AND STERYL GROUP INTRODUCED THEREINTO CD44, DAO, FUT6 TAAR1 3191/4885SLC6A2 1083/4885SLC7A5 45/4885
US-11564971-B2 Hyaluronic acid derivative having amino acid and steryl group introduced thereinto CD44, DAO, FUT6 TAAR1 3191/4885SLC6A2 1083/4885SLC7A5 45/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 TAAR1 4780/4885SLC6A2 3738/4885SLC7A5 1918/4885

“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.