SCHEMBL17307362

SCHEMBL17307362

O=C(O)C(O)C(NCCO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.37
PDE4A P27815 1/20 0.37
OR51E2 Q9H255 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GBA1 P04062 1/20 0.31

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
SCHEMBL5004355 0.88 TSHR (0.45) ALDH1A1MEN1USP2MAPTKMT2A
SCHEMBL17307369 0.88 ALDH1A1 (0.38) ALDH1A1MEN1USP2MAPTKMT2A
SCHEMBL5001813 0.86 TSHR (0.43) ALDH1A1MEN1USP2MAPTKMT2A
SCHEMBL11302636 0.80 TSHR (0.38) TSHRCYP2C9PDE4A
SCHEMBL17292411 0.80 GGT1 (0.43) TSHRCYP2C9PDE4A
SCHEMBL9603268 0.80 ALDH1A1 (0.37) ALDH1A1MEN1USP2MAPTKMT2A
SCHEMBL3294010 0.77 SMN1; SMN2 (0.42) ALDH1A1MEN1USP2MAPTKMT2A
SCHEMBL3294007 0.77 SMN1; SMN2 (0.42) ALDH1A1MEN1USP2MAPTKMT2A
SCHEMBL17292182 0.77 ANPEP (0.40) ALDH1A1TSHR
SCHEMBL17307361 0.77 GSR (0.36) KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290851-B2 Specific 3-alkylamino-2-hydroxysuccinic acids and their salts as corrosion inhibitors for ferrous metals ECOLAB USA INC. (US) 2016-03-22 US disclosed
US-9290851-B2 Specific 3-alkylamino-2-hydroxysuccinic acids and their salts as corrosion inhibitors for ferrous metals ECOLAB USA INC. (US) 2016-03-22 US disclosed
US-20150345031-A1 SPECIFIC 3-ALKYLAMINO-2-HYDROXYSUCCINIC ACIDS AND THEIR SALTS AS CORROSION INHIBITORS FOR FERROUS METALS Ecolab USA, Inc. (US) 2015-12-03 US disclosed
US-20150345031-A1 SPECIFIC 3-ALKYLAMINO-2-HYDROXYSUCCINIC ACIDS AND THEIR SALTS AS CORROSION INHIBITORS FOR FERROUS METALS Ecolab USA, Inc. (US) 2015-12-03 US 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 (1 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-20150345031-A1 SPECIFIC 3-ALKYLAMINO-2-HYDROXYSUCCINIC ACIDS AND THEIR SALTS AS CORROSION INHIBITORS FOR FERROUS METALS HAO2, HAAO, SLC30A5 ALDH1A1 1202/4885MEN1 4214/4885USP2 792/4885

“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.