SCHEMBL19606166

SCHEMBL19606166

O=Nc1c(O)cccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ HPGD P15428 4/20 0.56
▸ CA12 O43570 2/20 0.56
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA7 P43166 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ CA14 Q9ULX7 2/20 0.56
▸ HMGB1 P09429 1/20 0.56
▸ CA4 P22748 1/20 0.56
▸ CA6 P23280 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NAPRT Q6XQN6 1/20 0.56
▸ G6PD P11413 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ CASP6 P55212 1/20 0.53
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 3/20 0.44
▸ ALB P02768 1/20 0.44

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
SCHEMBL19261768 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL29946422 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL2346534 0.79 HSP90AA1 (0.46) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL3175174 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL10067848 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDNAPRTALOX15
SCHEMBL13081953 0.78 ALB (0.57) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL3418836 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL20740635 0.77 CYP1A2 (0.52) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL7691220 0.75 SELL (0.59) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL19005982 0.75 SELL (0.65) ALDH1A1KDM4EHPGDCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626141-B2 Method for specific cleavage of C alpha-C bond and side chain of protein and peptide, and method for determining amino acid sequence SHIMADZU CORPORATION (JP) 2020-04-21 — — US disclosed
US-20170327533-A1 METHOD FOR SPECIFIC CLEAVAGE OF C Alpha-C BOND AND SIDE CHAIN OF PROTEIN AND PEPTIDE, AND METHOD FOR DETERMINING AMINO ACID SEQUENCE SHIMADZU CORPORATION (JP) 2017-11-16 — — 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 (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-20170327533-A1 METHOD FOR SPECIFIC CLEAVAGE OF C Alpha-C BOND AND SIDE CHAIN OF PROTEIN AND PEPTIDE, AND METHOD FOR DETERMINING AMINO ACID SEQUENCE CPN1, CYBA, CRYAB ALDH1A1 3311/4885KDM4E 3346/4885HPGD 2172/4885
US-10626141-B2 Method for specific cleavage of C alpha-C bond and side chain of protein and peptide, and method for determining amino acid sequence CPN1, CYBA, CRYAB ALDH1A1 3311/4885KDM4E 3346/4885HPGD 2172/4885

“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.

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