SCHEMBL3852730

SCHEMBL3852730

C=CCC(N)(CSSC[C@@](N)(CC=C)C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
ODC1 P11926 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL29962101 1.00 ALDH1A1 (0.36) ALDH1A1TSHRHTTMEN1CYP1A2
SCHEMBL3852726 1.00 ALDH1A1 (0.36) ALDH1A1TSHRHTTMEN1CYP1A2
SCHEMBL30651 0.84 ALDH1A1 (0.42) ALDH1A1TSHRHTTMEN1CYP1A2
SCHEMBL30787966 0.78 ARG2 (0.41) ALDH1A1TSHRHTTMEN1CYP1A2
SCHEMBL11087825 0.77 ODC1 (0.48) ALDH1A1TSHRHTTMEN1CYP1A2
SCHEMBL5904292 0.77 ALDH1A1 (0.50) ALDH1A1TSHRHTTMEN1CYP1A2
SCHEMBL1416683 0.77 ALDH1A1 (0.37) ALDH1A1TSHRHTTMEN1CYP1A2
SCHEMBL3854199 0.77 ALDH1A1 (0.37) ALDH1A1TSHRHTTMEN1CYP1A2
SCHEMBL1416684 0.77 ALDH1A1 (0.37) ALDH1A1TSHRHTTMEN1CYP1A2
Hydrochloric Acid SCHEMBL2302947 0.77 ARG2 (0.40) ALDH1A1TSHRHTTMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686114-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYLCYSTEINE, DERIVATIVE THEREOF, AND PROCESSES FOR PRODUCTION MITSUBISHI GAS CHEMICAL CO (JP) 2009-10-07 EP disclosed
US-20090030210-A1 Process for Producing Optically Active 2-Alkylcysteine, Derivative Thereof, and Processes for Production MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-01-29 US disclosed
US-7470525-B2 Process for producing optically active 2-alkycysteine, derivative thereof, and processes for production MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-12-30 US disclosed
EP-1634957-B1 2-ALKYLCYSTEINAMIDE OR SALT THEREOF, PROCESS FOR PRODUCING THESE, AND USE OF THESE MITSUBISHI GAS CHEMICAL CO (JP) 2008-10-08 EP disclosed
US-7208631-B2 2-alkylcysteinamide or salt thereof, process for producing these, and use of these MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-04-24 US disclosed
US-20070037260-A1 allowing cells of microorganism or treated products thereof having an activity of stereoselective hydrolysis of the amide bond of a 2-alkyl-L-cysteinamide or a salt thereof to act on a 2-alkylcysteinamide consisting of a mixture of D- and L-isomers or a salt thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-02-15 US disclosed
US-20060287398-A1 2-alkylcysteinamide or salt thereof, process for producing these, and use of these MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-12-21 US disclosed
EP-1686114-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKYLCYSTEINE, DERIVATIVE THEREOF, AND PROCESSES FOR PRODUCTION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-08-02 EP disclosed
EP-1634957-A1 2-ALKYLCYSTEINAMIDE OR SALT THEREOF, PROCESS FOR PRODUCING THESE, AND USE OF THESE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-03-15 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 (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-20060287398-A1 2-alkylcysteinamide or salt thereof, process for producing these, and use of these CBS, AHCY, CTH ALDH1A1 440/4885TSHR 2291/4885HTT 1671/4885
US-20090030210-A1 Process for Producing Optically Active 2-Alkylcysteine, Derivative Thereof, and Processes for Production AADAT, CBS, CTH ALDH1A1 444/4885TSHR 4348/4885HTT 1136/4885

“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.