SCHEMBL5998957

SCHEMBL5998957

COC(=O)C(CN1C(=O)c2ccccc2C1=O)C(C)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.45
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP3 P08254 2/20 0.44
MMP8 P22894 2/20 0.44
MMP13 P45452 2/20 0.44
MMP9 P14780 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7266878 1.00 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTNPC1MAPK1
SCHEMBL29777966 1.00 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTNPC1MAPK1
SCHEMBL29740352 1.00 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTNPC1MAPK1
SCHEMBL5998953 1.00 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTNPC1MAPK1
SCHEMBL5997028 0.87 KMT2A (0.49) ALDH1A1KMT2AMAPTMAPK1RAB9A
SCHEMBL5997717 0.87 KMT2A (0.49) ALDH1A1KMT2AMAPTMAPK1RAB9A
SCHEMBL5997034 0.87 KMT2A (0.49) ALDH1A1KMT2AMAPTMAPK1RAB9A
SCHEMBL5999165 0.87 KMT2A (0.41) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL5999170 0.87 KMT2A (0.41) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL5999168 0.87 KMT2A (0.41) ALDH1A1KMT2AMAPTNPC1RAB9A

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-7094908-B2 Reduction of carbonyl compounds using the carbonyl reductase of Kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2006-08-22 US claimed
US-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2003-07-24 US claimed
CN-114774491-B Method for preparing (2S, 3R) -2- (phthalimidomethyl) -3-hydroxybutyrate 湖州颐盛生物科技有限公司 2024-04-26 CN disclosed
CN-114774491-A Process for preparing (2S,3R) -2- (phthalimidomethyl) -3-hydroxybutyrate 湖州颐盛生物科技有限公司 2022-07-22 CN 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-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus CBR1, CBR3, DCXR ALDH1A1 216/4885KMT2A 1280/4885MAPT 3262/4885

“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.