SCHEMBL25840242

SCHEMBL25840242

COC(=O)[C@H](CCO)NCC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
RAB9A P51151 1/20 0.45
KYNU Q16719 1/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
THRB P10828 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ABCC3 O15438 1/20 0.44
NR1I2 O75469 1/20 0.44
ABCB11 O95342 1/20 0.44
NR3C1 P04150 1/20 0.44
RARG P13631 1/20 0.44
CNR1 P21554 1/20 0.44
OPRK1 P41145 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
SCHEMBL23485564 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1MAPTRAB9A
SCHEMBL23747281 0.89 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTRAB9A
SCHEMBL24021073 0.89 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTRAB9A
SCHEMBL25840243 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1MAPTRAB9A
SCHEMBL23011534 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1MAPTRAB9A
SCHEMBL19749935 0.84 MAPT (0.48) ALDH1A1MAPK1L3MBTL1MAPTRAB9A
SCHEMBL21657923 0.84 SIRT2 (0.48) ALDH1A1MEN1KMT2AHPGD
SCHEMBL5221940 0.82 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1MAPTRAB9A
SCHEMBL21271491 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTCYP2C9
SCHEMBL21271493 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV ALDH1A1 1863/4885MAPK1 4249/4885L3MBTL1 544/4885

“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.