SCHEMBL7044299

SCHEMBL7044299

COc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
ITGB3 P05106 8/20 0.67
ITGA2B P08514 8/20 0.67
FPR2 P25090 1/20 0.64
KMT2A Q03164 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
CTSL P07711 2/20 0.62
CTSS P25774 2/20 0.62
CTSK P43235 2/20 0.62
ALDH1A1 P00352 1/20 0.61
ALOX15 P16050 1/20 0.61
F2 P00734 1/20 0.60
ITGA4 P13612 1/20 0.59
ITGB7 P26010 1/20 0.59
CTSB P07858 1/20 0.59

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
SCHEMBL7039089 1.00 ATM (0.67) ATMITGB3ITGA2BFPR2KMT2A
SCHEMBL9716776 1.00 ATM (0.67) ATMITGB3ITGA2BFPR2KMT2A
SCHEMBL7044293 1.00 ATM (0.67) ATMITGB3ITGA2BFPR2KMT2A
SCHEMBL9716778 1.00 ATM (0.67) ATMITGB3ITGA2BFPR2KMT2A
SCHEMBL7317573 0.95 HDAC8 (0.64) ATMITGB3ITGA2BFPR2HDAC8
SCHEMBL14684392 0.95 HDAC8 (0.64) ATMITGB3ITGA2BFPR2HDAC8
SCHEMBL8569421 0.92 ALDH1A1 (0.65) ATMITGB3ITGA2BKMT2AHDAC8
SCHEMBL10706226 0.92 ATM (0.60) ATMITGB3ITGA2BFPR2KMT2A
SCHEMBL2406036 0.92 ALDH1A1 (0.65) ATMITGB3ITGA2BKMT2AHDAC8
SCHEMBL11059108 0.91 CTSL (0.60) ATMITGB3ITGA2BFPR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186224-B1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
CN-107001259-B Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2019-12-06 CN disclosed
US-10023559-B2 Substituted azetidine derivatives HOFFMAN-LA ROCHE INC. (US) 2018-07-17 US disclosed
CN-105473575-B Benzimidazolyl-methylurea derivatives as ALX receptor agonists 爱杜西亚药品有限公司 2017-11-24 CN disclosed
CN-107001259-A Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2017-08-01 CN disclosed
EP-3186224-A1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
EP-3030560-B1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2017-06-21 EP disclosed
US-9663473-B2 Benzimidazolyl-methyl urea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-30 US disclosed
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-25 US disclosed
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-07-14 US disclosed
EP-3030560-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd (CH) 2016-06-15 EP disclosed
WO-2016030310-A1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2016-03-03 WO disclosed
WO-2015019325-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-02-12 WO disclosed
EP-2544702-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
EP-0659737-B1 Catecholamine surrogates useful as beta 3 agonists BRISTOL MYERS SQUIBB CO (US) 2003-03-26 EP disclosed
US-5776983-A ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-07 US disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 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 (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-10023559-B2 Substituted azetidine derivatives HTR1B, MTNR1B, DRD2 ATM 2199/4885ITGB3 4573/4885ITGA2B 4075/4885
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HTR1B, MTNR1B, DRD2 ATM 2199/4885ITGB3 4573/4885ITGA2B 4075/4885
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS UTS2R, ADORA3, P2RX7 ATM 3326/4885ITGB3 3095/4885ITGA2B 2699/4885

“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.