SCHEMBL6066522

SCHEMBL6066522

CCOC(=O)c1ccc(OC(C)C)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.64
CA1 P00915 5/20 0.64
CA2 P00918 5/20 0.64
CA7 P43166 5/20 0.64
CA9 Q16790 5/20 0.64
CA14 Q9ULX7 5/20 0.64
HSD17B2 P37059 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
TSHR P16473 1/20 0.51
HCRTR1 O43613 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL21079187 0.88 KDM4E (0.59) CA12CA1CA2CA7CA9
SCHEMBL9005554 0.88 HSD17B2 (0.70) CA12CA1CA2CA7CA9
SCHEMBL18789684 0.87 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL16605589 0.86 MAPT (0.57) CA12CA1CA2CA7CA9
SCHEMBL7093941 0.84 ALDH1A1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL16605593 0.84 MAPT (0.55) CA12CA1CA2CA7CA9
SCHEMBL7684319 0.84 MAPT (0.77) CA12CA1CA2CA7CA9
SCHEMBL1990526 0.83 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL460455 0.83 HSD17B2 (0.77) CA12CA1CA2CA7CA9
SCHEMBL23876967 0.81 ALDH1A1 (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192886-B2 S1P1 agonist and application thereof MEDSHINE DISCOVERY INC. (CN) 2021-12-07 US disclosed
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-09-30 US disclosed
US-7067665-B2 Oxybenzamide derivatives useful for inhibiting factor Xa or Vlla SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-06-27 US disclosed
US-6953857-B2 Oxybenzamide derivatives useful for inhibiting factor Xa or viia AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-10-11 US disclosed
US-20050165058-A1 Oxybenzamide derivatives useful for inhibiting factor Xa or Vlla AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-07-28 US disclosed
EP-1349847-B1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
EP-1135360-B1 NOVEL 3-ALKOXYBENZYLAMINE DERIVATIVES AND THEIR USE AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2004-03-31 EP disclosed
CN-1481376-A HYDROXYBENZAMIDE DERIVATIVES AS FACTOR XA INHIBITORS ���ĵ�˹ҩ��¹����޹�˾ 2004-03-10 CN disclosed
EP-1349847-A1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2003-10-08 EP disclosed
US-20020198195-A1 New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-12-26 US disclosed
WO-2002051831-A1 OXYBENZAMIDES DERIVATIVES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-04 WO disclosed
US-6350913-B1 AROMATIC AMINE COMPOUNDS PIERRE FABRE MEDICAMENT (FR) 2002-02-26 US disclosed
US-5385917-A Treating androgen dependent diseases MITSUBISHI KASEI CORPORATION (JP) 1995-01-31 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-11192886-B2 S1P1 agonist and application thereof S1PR1, S1PR2, S1PR3 CA12 3842/4885CA1 3821/4885CA2 1992/4885
US-20050165058-A1 Oxybenzamide derivatives useful for inhibiting factor Xa or Vlla F12, F11, F5 CA12 4228/4885CA1 4414/4885CA2 3163/4885
US-20020198195-A1 New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa F9, F11, F5 CA12 3684/4885CA1 4325/4885CA2 2450/4885
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF S1PR1, S1PR2, S1PR3 CA12 3842/4885CA1 3821/4885CA2 1992/4885

“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.