SCHEMBL1827117

SCHEMBL1827117

CC(O)(C(=O)O)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TSHR P16473 2/20 0.39
KIF11 P52732 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
HPGDS O60760 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM3 P20309 3/20 0.36

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
SCHEMBL11881887 0.84 ALDH1A1 (0.39) DAOCES2CES1TSHRALOX5
SCHEMBL73588 0.82 DAO (0.43) DAOCES2CES1TSHRKIF11
SCHEMBL1421302 0.82 DAO (0.43) DAOCES2CES1TSHRKIF11
SCHEMBL7432298 0.82 DAO (0.43) DAOCES2CES1TSHRKIF11
SCHEMBL41617 0.82 DAO (0.43) DAOCES2CES1TSHRKIF11
SCHEMBL1492740 0.82 DAO (0.43) DAOCES2CES1TSHRKIF11
SCHEMBL599752 0.82 DAO (0.43) DAOCES2CES1TSHRKIF11
SCHEMBL6717951 0.81 DAO (0.39) DAOCES2CES1TSHRKIF11
Hydrochloric Acid SCHEMBL9402263 0.80 DAO (0.42) DAOCES2CES1TSHRKIF11
SCHEMBL11468485 0.79 RAB9A (0.41) TSHRSMN1; SMN2LMNACHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP 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
CN-1849391-B Nitrilases, nucleic acids encoding nitrilases, and methods of making and using the same DIVERSA CORP 2014-06-11 CN disclosed
US-20130177949-A1 NITRILASES VERENIUM CORPORATION (US) 2013-07-11 US disclosed
EP-2115153-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BP CORP NORTH AMERICA INC (US) 2013-06-05 EP disclosed
US-8334125-B2 Nucleic acids encoding nitrilases VERENIUM CORPORATION (US) 2012-12-18 US disclosed
CN-1849391-A Nitrilases, nucleic acids encoding nitrilases, and methods of making and using the same DIVERSA CORP (US) 2006-10-18 CN disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
CN-1744899-A Piperidine derivatives as CCR5 antagonists SMITHKLINE BEECHAM CORP (US) 2006-03-08 CN disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO disclosed
US-4675419-A Process for preparing α-hydroxy-acids and compounds obtained by this process SANOFI (FR) 1987-06-23 US disclosed
US-4535092-A Acylanilides having antiandrogenic activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-08-13 US disclosed
EP-0079191-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-05-18 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 (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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 DAO 2638/4885CES2 1279/4885CES1 1070/4885

“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.