SCHEMBL197251

SCHEMBL197251

C[C@@](O)(C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
KCNN4 O15554 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL153694 1.00 MAPT (0.52) MAPTKMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL21557850 1.00 MAPT (0.52) MAPTKMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL198241 1.00 MAPT (0.52) MAPTKMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL4326795 1.00 MAPT (0.52) MAPTKMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL31598893 0.98 CYP1A2 (0.50) MAPTKMT2ACYP1A2CYP2D6CYP2C19
Water SCHEMBL6414988 0.98 CYP1A2 (0.50) MAPTKMT2ACYP1A2CYP2D6CYP2C19
Iodide SCHEMBL3861799 0.98 CYP1A2 (0.50) MAPTKMT2ACYP1A2CYP2D6CYP2C19
Phosphine SCHEMBL29088066 0.98 CYP1A2 (0.50) MAPTKMT2ACYP1A2CYP2D6CYP2C19
Water SCHEMBL7613695 0.98 CYP1A2 (0.50) MAPTKMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL29733105 0.98 CYP1A2 (0.50) MAPTKMT2ACYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US claimed
US-9217164-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2015-12-22 US claimed
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP claimed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP claimed
EP-1576108-B1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC (US) 2015-07-08 EP claimed
US-20150125928-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM BASF ENZYMES LLC 2015-05-07 US claimed
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP claimed
EP-2327765-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-01 EP claimed
US-20130316409-A1 Nitrilases, Nucleic Acids Encoding Them and Methods for Making and Using Them VERENIUM CORPORATION (US) 2013-11-28 US claimed
US-20130177949-A1 NITRILASES VERENIUM CORPORATION (US) 2013-07-11 US claimed
EP-2115153-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM Verenium Corporation (US) 2009-11-11 EP claimed
US-7521216-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2009-04-21 US claimed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP claimed
WO-2008106662-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2008-09-04 WO claimed
US-20040053382-A1 Production of alpha-hydroxy-carboxylic acids using a coupled enzyme system EXCELSYN MOLECULAR DEVELOPMENT LIMITED (GB) 2004-03-18 US claimed
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them DIVERSA CORPORATION (US) 2004-01-22 US claimed
US-20040002147-A1 Nitrilases DIVERSA CORPORATION 2004-01-01 US claimed
EP-1326993-A2 PRODUCTION OF g(a)-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM PCBU Services, Inc. (US) 2003-07-16 EP claimed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US claimed
WO-2002033110-A2 PRODUCTION OF α-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM PCBU SERVICES, INC. (US) 2002-04-25 WO claimed

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-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them RNGTT, NSUN2, NSUN3 MAPT 2758/4885KMT2A 1373/4885CYP1A2 2975/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 MAPT 1820/4885KMT2A 1225/4885CYP1A2 1608/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS MAPT 3670/4885KMT2A 2080/4885CYP1A2 1283/4885

“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.