2-Hydroxybenzoic Acid Butyl Ester

2-Hydroxybenzoic Acid Butyl Ester

SCHEMBL3864166

CCCCCOC(=O)c1ccccc1O.CCCCOC(=O)c1ccccc1O

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.78
CYP3A4 P08684 2/20 0.78
MAPK1 P28482 2/20 0.78
TP53 P04637 1/20 0.78
ALDH1A1 P00352 5/20 0.76
LMNA P02545 2/20 0.76
TDP1 Q9NUW8 3/20 0.75
L3MBTL1 Q9Y468 2/20 0.75
HSD17B10 Q99714 2/20 0.66
KDM4E B2RXH2 1/20 0.66
POLB P06746 1/20 0.66
CNR2 P34972 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
SCHEMBL88285 0.98 TSHR (0.81) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL12095195 0.98 TSHR (0.81) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL7459965 0.97 ALDH1A1 (0.81) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL1005991 0.97 ALDH1A1 (0.81) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL1923016 0.97 ALDH1A1 (0.81) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL4731100 0.97 ALDH1A1 (0.81) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL411474 0.97 ALDH1A1 (0.81) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL2801630 0.97 ALDH1A1 (0.81) TSHRCYP3A4MAPK1TP53ALDH1A1
2-Hydroxybenzoic Acid Hexyl Ester SCHEMBL113059 0.97 ALDH1A1 (0.81) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL8927962 0.97 ALDH1A1 (0.81) TSHRCYP3A4MAPK1TP53ALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281926-A1 Synthesis of 2-alkylcysteine via phase transfer catalysis GIMI RAYOMAND H 2006-12-14 US claimed
US-7576234-B2 Michael-type addition of a nucleophile to a dialkyl 2-methylidenylpropan-1,3-dioate and the conversion of a ester moiety into an amino moiety; S)-2-methylcysteine; desferrithiocin GENZYME CORPORATION (US) 2009-08-18 US disclosed
EP-1529037-B1 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF GENZYME CORP (US) 2009-07-15 EP disclosed
US-20060281926-A1 Synthesis of 2-alkylcysteine via phase transfer catalysis GIMI RAYOMAND H 2006-12-14 US disclosed
US-7115769-B2 Synthesis of 2-alkylcysteine via phase transfer catalysis GENZYME CORPORATION (US) 2006-10-03 US disclosed
US-20060167267-A1 Synthesis of 2-alkyl amino acids CHORGHADE MUKUND S 2006-07-27 US disclosed
US-7002036-B2 Synthesis of 2-alkyl amino acids GENZYME CORPORATION (US) 2006-02-21 US disclosed
EP-1529037-A2 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF Genzyme Corporation (US) 2005-05-11 EP disclosed
US-6878828-B2 Synthesis of 2-alkylcysteine via substituted thiazoline ester GENZYME CORPORATION (US) 2005-04-12 US disclosed
US-6861532-B2 Synthesis of 2-alkylcysteine GENZYME CORPORATION (US) 2005-03-01 US disclosed
US-6794515-B2 CONDENSING CYSTEINE WITH CABOCYCLIC NITRILES TO FORM 2-ARYLTHIAZOLINE-4-CARBOXYLIC ACID, THEN AMIDATION, ALKYLATION, HYDROLYZING AND OPTIONALLY PURIFYING TO FORM 2-METHYLCYSTEINE GENZYME CORPORATION 2004-09-21 US disclosed
US-20040024224-A1 Synthesis of 2-alkyl amino acids GENZYME CORPORATION (US) 2004-02-05 US disclosed
US-20030236435-A1 Synthesis of 2-alkylcysteine via substituted thiazoline ester GENZYME CORPORATION 2003-12-25 US disclosed
US-20030236434-A1 Synthesis of 2-alkylcysteine via substituted thiazoline amide GENZYME CORPORATION (US) 2003-12-25 US disclosed
US-20030236404-A1 Synthesis of 2-alkylcysteine via phase transfer catalysis GENZYME CORPORATION 2003-12-25 US disclosed
US-20030229231-A1 Synthesis of 2-alkylcysteine GENZYME CORPORATION 2003-12-11 US disclosed
WO-2003097622-A2 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF GENZYME CORPORATION (US) 2003-11-27 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 (7 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-20030236404-A1 Synthesis of 2-alkylcysteine via phase transfer catalysis DIMT1, ICMT, CNDP2 TSHR 1787/4885CYP3A4 2320/4885MAPK1 4035/4885
US-20030236435-A1 Synthesis of 2-alkylcysteine via substituted thiazoline ester FTH1, TFRC, CNDP2 TSHR 178/4885CYP3A4 2981/4885MAPK1 4509/4885
US-20030229231-A1 Synthesis of 2-alkylcysteine FTH1, CISD2, CNDP2 TSHR 499/4885CYP3A4 3118/4885MAPK1 4319/4885
US-20040024224-A1 Synthesis of 2-alkyl amino acids PTMS, DNPEP, CNDP2 TSHR 728/4885CYP3A4 3108/4885MAPK1 3646/4885
US-20030236434-A1 Synthesis of 2-alkylcysteine via substituted thiazoline amide CNDP2, FTH1, PTMS TSHR 485/4885CYP3A4 3961/4885MAPK1 4308/4885
US-20060167267-A1 Synthesis of 2-alkyl amino acids PTMS, DNPEP, CNDP2 TSHR 728/4885CYP3A4 3108/4885MAPK1 3646/4885
US-20060281926-A1 Synthesis of 2-alkylcysteine via phase transfer catalysis DIMT1, ICMT, CNDP2 TSHR 1787/4885CYP3A4 2320/4885MAPK1 4035/4885

“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.