SCHEMBL26426727

SCHEMBL26426727

CC(C)(C)c1ccc(C(O)C2CNC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TYR P14679 1/20 0.38
SLC6A4 P31645 3/20 0.37
GBA1 P04062 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
SLC6A2 P23975 2/20 0.34
HPGD P15428 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HSD11B1 P28845 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL10435880 0.87 SLC6A2 (0.39) SLC6A4SLC6A2HPGDSLC6A3
SCHEMBL18253219 0.83 DHODH (0.42) LMNATYRSLC6A4TSHRALDH1A1
SCHEMBL26424742 0.80 DHODH (0.47) LMNATYRSLC6A4TSHRALDH1A1
SCHEMBL23962417 0.79 SLC6A4 (0.43) TYRSLC6A4GBA1ALDH1A1SLC6A2
SCHEMBL26424750 0.77 HSD11B1 (0.41) LMNATYRSLC6A4TSHRALDH1A1
SCHEMBL23962816 0.75 DHODH (0.43) SLC6A4GBA1TSHRALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL15794270 0.73 GBA1 (0.56) SLC6A4GBA1TSHRSLC6A2SLC6A3
SCHEMBL1956594 0.73 LMNA (0.39) LMNATYRSLC6A4TSHRALDH1A1
SCHEMBL26424747 0.72 HTR2A (0.43) LMNASLC6A4TSHRSLC6A2HPGD
Tert-Butyl Formate SCHEMBL27596961 0.71 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3

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-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 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-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, HK1 LMNA 2098/4885TYR 4157/4885SLC6A4 2912/4885

“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.