SCHEMBL253783

SCHEMBL253783

CC(O)(C(=O)O)c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
DAO P14920 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM3 P20309 1/20 0.35
PPARA Q07869 2/20 0.35
HDAC1 Q13547 1/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL29226476 1.00 LCK (0.42) LCKFYNDAONPC1RAB9A
SCHEMBL2791848 0.82 LCK (0.43) LCKFYNDAONPC1RAB9A
SCHEMBL10806885 0.82 LCK (0.43) LCKFYNDAONPC1RAB9A
Hydrochloric Acid SCHEMBL9402271 0.80 LCK (0.42) LCKFYNDAONPC1RAB9A
SCHEMBL5497769 0.80 CYP1A2 (0.44) LCKFYNDAONPC1RAB9A
SCHEMBL891551 0.80 CYP1A2 (0.44) LCKFYNDAONPC1RAB9A
SCHEMBL72501 0.79 CYP2C9 (0.45) LCKFYNDAONPC1RAB9A
SCHEMBL5929549 0.77 CYP2C19 (0.44) LCKFYNDAONPC1RAB9A
SCHEMBL2975836 0.76
SCHEMBL14625255 0.76 LCK (0.38) LCKFYNDAONPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924156-A Synthesis method of aza-aryl alcohol compound and chiral alpha-hydroxycarboxylic acid 赣南师范大学 2024-04-26 CN disclosed
US-9828594-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2017-11-28 US disclosed
US-20160355801-A1 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION 2016-12-08 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
CN-105296512-A Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC 2016-02-03 CN 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
CN-102796750-B The nucleic acid of nitrilase, encoding nitrilase enzyme, and the method preparing and use them BASF ENZYMES LLC (US) 2015-09-16 CN 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
CN-1849391-A Nitrilases, nucleic acids encoding nitrilases, and methods of making and using the same DIVERSA CORP (US) 2006-10-18 CN disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP disclosed
EP-1576108-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2005-09-21 EP disclosed
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them DIVERSA CORPORATION (US) 2004-01-22 US disclosed
US-20040002147-A1 Nitrilases DIVERSA CORPORATION 2004-01-01 US disclosed
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-11-27 WO disclosed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO 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 (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 LCK 4260/4885FYN 3910/4885DAO 148/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 LCK 4091/4885FYN 3064/4885DAO 98/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS LCK 4643/4885FYN 4065/4885DAO 65/4885

“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.