SCHEMBL3886524

SCHEMBL3886524

O=C(O)Cc1cccc(O)c1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.67
DUSP3 P51452 1/20 0.66
PTPN5 P54829 1/20 0.66
PTPN11 Q06124 1/20 0.66
CTDSP1 Q9GZU7 1/20 0.66
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
MCL1 Q07820 8/20 0.56
BID P55957 7/20 0.56
BCL2L1 Q07817 6/20 0.56
BAK1 Q16611 6/20 0.56
KAT8 Q9H7Z6 3/20 0.56
EP300 Q09472 2/20 0.56
KAT5 Q92993 2/20 0.56
SAE1 Q9UBE0 2/20 0.56
PPARG P37231 1/20 0.56

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
SCHEMBL9308264 0.83 CA12 (0.67) AKR1B1CA12CA1CA2CA7
SCHEMBL11571511 0.82 CA12 (0.64) AKR1B1CA12CA1CA2CA7
SCHEMBL31086255 0.82 AKR1B1 (0.69) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL29919590 0.82 BID (0.67) CA12CA1CA2CA7CA9
SCHEMBL3954149 0.82 BID (0.67) CA12CA1CA2CA7CA9
SCHEMBL10886691 0.82 AKR1B1 (0.69) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL16870672 0.81 BID (0.61) CA12CA1CA2CA7CA9
SCHEMBL72309 0.81 AKR1B1 (1.00) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL30449014 0.81 AKR1B1 (1.00) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL3875526 0.80 BID (0.53) DUSP3PTPN5PTPN11CTDSP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160331660-A1 USE OF SALICYLIC ACID DERIVATIVES AS PRODESQUAMATING ACTIVE AGENT L'OREAL (FR) 2016-11-17 US disclosed
WO-2009145718-A1 ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
EP-2025666-A2 Thiolalkyl benzoic acid derivatives MGI GP, Inc. (US) 2009-02-18 EP disclosed
EP-2025666-A2 Thiolalkyl benzoic acid derivatives MGI GP, Inc. (US) 2009-02-18 EP disclosed
EP-1406867-B1 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2008-12-31 EP disclosed
EP-1406867-B1 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2008-12-31 EP disclosed
US-7138543-B2 Thiolalkyl benzoic acid derivatives GUILFORD PHARMACEUTICALS INC. (US) 2006-11-21 US disclosed
EP-1720868-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2006-11-15 EP disclosed
WO-2005077944-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2005-08-25 WO disclosed
US-20040198824-A1 Thioalkyl benzoic acid derivatives GUILFORD PHARMACEUTICALS INC. 2004-10-07 US disclosed
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance GUILFORD PHARMACEUTICALS INC. 2004-09-23 US disclosed
WO-2004078180-A2 NAALADASE INHIBITORS FOR TREATING OPIOID TOLERANCE GUILFORD PHARMACEUTICALS INC. (US) 2004-09-16 WO disclosed
US-6740777-B2 MERCAPTOALKYL BENZOIC ACID DERIVATIVE ARE USEFUL FOR INHIBITING NAALADASE (ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE/N-/) ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. 2004-05-25 US disclosed
EP-1406867-A2 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2004-04-14 EP disclosed
US-20030100607-A1 Mercaptoalkyl benzoic acid derivative are useful for inhibiting NAALADase (acetylated alpha-linked acidic dipeptidase/N-/) enzyme activity EISAI INC. 2003-05-29 US disclosed
WO-2002096866-A2 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
WO-1994027969-A1 ISOQUINOLINETRIONE DERIVATIVES AS HERBICIDES ZENECA LIMITED (GB) 1994-12-08 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 (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-20160331660-A1 USE OF SALICYLIC ACID DERIVATIVES AS PRODESQUAMATING ACTIVE AGENT HRH1, SUCNR1, PTGS1 AKR1B1 572/4885DUSP3 2556/4885PTPN5 3786/4885
US-20040198824-A1 Thioalkyl benzoic acid derivatives ALDH1A2, ALDH7A1, NAALAD2 AKR1B1 783/4885DUSP3 4303/4885PTPN5 3780/4885
US-20030100607-A1 Mercaptoalkyl benzoic acid derivative are useful for inhibiting NAALADase (acetylated alpha-linked acidic dipeptidase/N-/) enzyme activity NAALAD2, DNPEP, ALDH7A1 AKR1B1 1284/4885DUSP3 3849/4885PTPN5 3844/4885
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 AKR1B1 338/4885DUSP3 352/4885PTPN5 1090/4885

“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.