SCHEMBL10170673

SCHEMBL10170673

O=C(O)[C@H](O)Cc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.61
TDP1 Q9NUW8 1/20 0.58
MME P08473 2/20 0.55
ACE P12821 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HRH4 Q9H3N8 1/20 0.50
CYP1A2 P05177 1/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
ACP3 P15309 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
MTNR1A P48039 1/20 0.45
PTPRA P18433 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
SCHEMBL2684738 1.00 CTNNB1 (0.61) CTNNB1TDP1MMEACESMN1; SMN2
SCHEMBL1826710 1.00 CTNNB1 (0.61) CTNNB1TDP1MMEACESMN1; SMN2
SCHEMBL7272663 0.85 CTNNB1 (0.75) CTNNB1TDP1MMEACEHRH4
SCHEMBL11410876 0.84 CTNNB1 (0.55) CTNNB1TDP1MMEACECYP1A2
SCHEMBL6677809 0.84 CTNNB1 (0.63) CTNNB1TDP1MMEACEHRH4
SCHEMBL1244997 0.83 CTNNB1 (0.55) CTNNB1TDP1MMEACEHRH4
SCHEMBL27584168 0.83 TDP1 (0.54) CTNNB1TDP1MMEACECYP1A2
SCHEMBL660499 0.81 CTNNB1 (0.59) CTNNB1TDP1HRH4CYP1A2SLC1A3
SCHEMBL6898775 0.81 CTNNB1 (0.59) CTNNB1TDP1MMEACEHRH4
SCHEMBL93516 0.81 CTNNB1 (0.59) CTNNB1TDP1HRH4CYP1A2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11203565-B2 Ester compound and PIN1 inhibitor, inflammatory disease therapeutic, and colon cancer therapeutic in which said ester compound is used HIROSHIMA UNIVERSITY (JP) 2021-12-21 US disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US disclosed
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
EP-1576108-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC (US) 2015-07-08 EP disclosed
US-20150125928-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC 2015-05-07 US disclosed
EP-2327765-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-01 EP disclosed
US-8906663-B2 Nitrilases VERENIUM CORPORATION (US) 2014-12-09 US disclosed
US-8906663-B2 Nitrilases VERENIUM CORPORATION (US) 2014-12-09 US disclosed
US-20100273659-A1 Nitrilases, Nucleic Acids Encoding Them and Methods for Making and Using Them VERENIUM CORPORATION (US) 2010-10-28 US disclosed
US-20100086986-A1 Increased activity and stability at increased pH and temperature; making a chiral alpha -hydroxy acid molecule, a chiral amino acid molecule, a chiral beta -hydroxy acid molecule, or a chiral gamma-hydroxy acid molecule, from a molecule with a cyanohydrin moiety or an aminonitrile moiety VERENIUM CORPORATION (US) 2010-04-08 US disclosed
US-20100086986-A1 Increased activity and stability at increased pH and temperature; making a chiral alpha -hydroxy acid molecule, a chiral amino acid molecule, a chiral beta -hydroxy acid molecule, or a chiral gamma-hydroxy acid molecule, from a molecule with a cyanohydrin moiety or an aminonitrile moiety VERENIUM CORPORATION (US) 2010-04-08 US disclosed
US-7651849-B2 Increased activity and stability at increased pH and temperature VERENIUM CORPORATION 2010-01-26 US disclosed
US-7651849-B2 Increased activity and stability at increased pH and temperature VERENIUM CORPORATION 2010-01-26 US disclosed
US-20090176976-A1 Increased activity and stability at increased pH and temperature VERENIUM CORPORATION 2009-07-09 US disclosed
US-20090176976-A1 Increased activity and stability at increased pH and temperature VERENIUM CORPORATION 2009-07-09 US disclosed
US-7521216-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2009-04-21 US disclosed
US-7521216-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2009-04-21 US disclosed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP 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 (2 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-20100086986-A1 Increased activity and stability at increased pH and temperature; making a chiral alpha -hydroxy acid molecule, a chiral amino acid molecule, a chiral beta -hydroxy acid molecule, or a chiral gamma-hydroxy acid molecule, from a molecule with a cyanohydrin moiety or an aminonitrile moiety ASPH, AHSA1, DNPH1 CTNNB1 1673/4885TDP1 241/4885MME 84/4885
US-11203565-B2 Ester compound and PIN1 inhibitor, inflammatory disease therapeutic, and colon cancer therapeutic in which said ester compound is used PIN1, APC, GSKIP CTNNB1 1036/4885TDP1 3790/4885MME 2733/4885

“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.