SCHEMBL5996499

SCHEMBL5996499

Cc1ccc(S(=O)(=O)NC(C)(CS)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL5995571 0.80 HDAC3 (0.48) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL6255018 0.79 GHSR (0.46) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL6255022 0.79 GHSR (0.46) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL3392200 0.79 ALDH1A1 (0.54) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL27713867 0.76 F2 (0.50) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL7984352 0.75 BCHE (0.47) ALDH1A1MMP1MMP2MMP9MMP13
SCHEMBL7415883 0.74 ALDH1A1 (0.46) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL7981503 0.73 EGFR (0.43) ALDH1A1MMP1MMP2MMP9MMP13
SCHEMBL634085 0.73 ALDH1A1 (0.79) ALDH1A1CA1CA2MMP1MMP2
SCHEMBL10282879 0.72 ALDH1A1 (0.56) ALDH1A1CA1CA2MMP1MMP2

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 ALDH1A1 2435/4885CA1 728/4885CA2 250/4885
US-20040006224-A1 Synthesis of 2-alkyl amino acids ASNS, AAAS, FTH1 ALDH1A1 2435/4885CA1 728/4885CA2 250/4885

“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.