SCHEMBL5995571

SCHEMBL5995571

CC(=O)SCC(C)(NS(=O)(=O)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ALDH1A1 P00352 8/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL5996499 0.80 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNAKMT2ARAB9A
SCHEMBL6255018 0.75 GHSR (0.46) ALDH1A1L3MBTL1LMNAKMT2AMAPT
SCHEMBL6255022 0.75 GHSR (0.46) ALDH1A1L3MBTL1LMNAKMT2AMAPT
SCHEMBL3392200 0.75 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AMAPTCA1
SCHEMBL27713867 0.71 F2 (0.50) ALDH1A1L3MBTL1LMNAKMT2ARAB9A
SCHEMBL7984352 0.71 BCHE (0.47) ALDH1A1L3MBTL1KMT2AMMP1MMP2
SCHEMBL14676357 0.70 CA12 (0.50) ALDH1A1L3MBTL1LMNAKMT2AMAPT
SCHEMBL7415883 0.69 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAKMT2ARAB9A
SCHEMBL7981503 0.69 EGFR (0.43) ALDH1A1KMT2AMAPTMMP1MMP2
SCHEMBL634085 0.69 ALDH1A1 (0.79) ALDH1A1L3MBTL1LMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142586-A1 Synthesis of 2-alkyl amino acids CHORGHADE MUKUND S 2006-06-29 US disclosed
US-7038073-B2 Synthesis of 2-alkyl amino acids GENZYME CORPORATION (US) 2006-05-02 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-20040006224-A1 Synthesis of 2-alkyl amino acids GENZYME CORPORATION 2004-01-08 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 (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-20060142586-A1 Synthesis of 2-alkyl amino acids ASNS, AAAS, FTH1 HDAC3 4077/4885HDAC4 3358/4885HDAC1 4230/4885
US-20040006224-A1 Synthesis of 2-alkyl amino acids ASNS, AAAS, FTH1 HDAC3 4077/4885HDAC4 3358/4885HDAC1 4230/4885

“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.