SCHEMBL479010

SCHEMBL479010

O=C(NC(Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.68
ITGB3 P05106 6/20 0.67
ITGA2B P08514 6/20 0.67
CTSL P07711 2/20 0.67
CTSB P07858 2/20 0.67
CTSS P25774 2/20 0.67
CTSK P43235 2/20 0.67
ALDH1A1 P00352 1/20 0.65
ALOX15 P16050 1/20 0.65
CTRB1 P17538 2/20 0.64
MME P08473 1/20 0.62
ECE1 P42892 1/20 0.62
TYR P14679 1/20 0.62

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
SCHEMBL7372270 1.00 TACR1 (0.68) TACR1ITGB3ITGA2BCTSLCTSB
SCHEMBL219151 1.00 TACR1 (0.68) TACR1ITGB3ITGA2BCTSLCTSB
SCHEMBL220648 1.00 TACR1 (0.68) TACR1ITGB3ITGA2BCTSLCTSB
SCHEMBL26661077 1.00 TACR1 (0.68) TACR1ITGB3ITGA2BCTSLCTSB
Hypochlorous Acid SCHEMBL7368156 0.97 TACR1 (0.65) TACR1ITGB3ITGA2BCTSLCTSB
SCHEMBL5391083 0.94 ITGB3 (0.65) TACR1ITGB3ITGA2BCTSLCTSB
SCHEMBL12052836 0.94 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK
SCHEMBL1702159 0.94 ECE1 (0.65) TACR1ITGB3ITGA2BCTSLCTSB
SCHEMBL221300 0.94 ECE1 (0.65) TACR1ITGB3ITGA2BCTSLCTSB
SCHEMBL10507966 0.94 ECE1 (0.65) TACR1ITGB3ITGA2BCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728167-B2 Process for the preparation of enantiomerically enriched amino acids DEGUSSA AG (DE) 2010-06-01 US claimed
US-20080015368-A1 Process for preparing beta-amino-alpha-hydroxycarboxamides DEGUSSA GMBH (DE) 2008-01-17 US claimed
US-6646130-B2 Comprises mixtures of alky esters of 3-(6-methoxy-pyridin-3-yl); for inhibiting bone resorption, restenosis, angiogenesis, diabetic retinopathy, macular degeneration, inflammatory arthritis, cancer, and metastasis MERCK & CO., INC. 2003-11-11 US claimed
US-6395077-B1 INKS WITH BENZOYLBENZOIC ACID AND COLORS XEROX CORPORATION 2002-05-28 US claimed
EP-1039886-A4 HIV/FIV PROTEASE INHIBITORS HAVING A SMALL P3 RESIDUE SCRIPPS RESEARCH INST (US) 2001-05-16 EP claimed
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP claimed
EP-1039886-A1 HIV/FIV PROTEASE INHIBITORS HAVING A SMALL P3 RESIDUE The Cripps Research Institute (US) 2000-10-04 EP claimed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US claimed
WO-1999029311-A1 HIV/FIV PROTEASE INHIBITORS HAVING A SMALL P3 RESIDUE THE SCRIPPS RESEARCH INSTITUTE (US) 1999-06-17 WO claimed
US-5757408-A PRINTING IMAGE ON SUBSTRATE COATED WITH AMINO-ACID DERIVATIVE ADDITIVE; QUICK DRYING OF INK, OPTICAL DENSITY, NONCURLING XEROX CORPORATION (US) 1998-05-26 US claimed
EP-0817795-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES INC. (CA) 1998-01-14 EP claimed
US-5683793-A Ink jet transparencies XEROX CORPORATION (US) 1997-11-04 US claimed
US-5589277-A INK JET PRINTING, AQUEOUS INKS, FAST DRYING XEROX CORPORATION (US) 1996-12-31 US claimed
WO-1996032408-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES, INC. (US) 1996-10-17 WO claimed
EP-0667246-A1 Recording sheets containing amino acids, hydroxy acids, and polycarboxyl compounds XEROX CORPORATION (US) 1995-08-16 EP claimed
JP-62269689-A None JP disclosed
JP-3038553-A None JP disclosed
US-4076703-A 2-O-CHLOROBENZOYL-4-CHLORO-N-METHYL-N(ALPHA)-GLYCYL-GLYCINANILIDE SHIONOGI & CO., LTD. (JA) 1978-02-28 US disclosed
US-4059603-A Esterification of carboxylic acids by contact with a phosphonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-11-22 US disclosed
US-3974219-A PREPARATION PEPTIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 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 (1 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-20080015368-A1 Process for preparing beta-amino-alpha-hydroxycarboxamides BCAT1, ASPH, BCAT2 TACR1 3157/4885ITGB3 3593/4885ITGA2B 1667/4885

“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.