SCHEMBL24909149

SCHEMBL24909149

CC(C)N(C(=O)OC(C)(C)C)[C@@H](C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.38
MDM2 Q00987 1/20 0.37
STS P08842 1/20 0.36
POLB P06746 1/20 0.36
APP P05067 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
PPARA Q07869 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
PPARG P37231 1/20 0.35
LMNA P02545 1/20 0.35
PMP22 Q01453 1/20 0.35
NLRP3 Q96P20 1/20 0.35
S1PR3 Q99500 1/20 0.34

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
SCHEMBL24191740 0.79 BRD4 (0.43) MDM2POLBCYP2D6CYP2C19MEN1
SCHEMBL191131 0.77 POLB (0.45) MT-CO2POLBCYP3A4CYP1A2CYP2D6
SCHEMBL30571417 0.77 POLB (0.45) MT-CO2POLBCYP3A4CYP1A2CYP2D6
SCHEMBL191130 0.77 POLB (0.45) MT-CO2POLBCYP3A4CYP1A2CYP2D6
SCHEMBL16719281 0.77 POLB (0.45) MT-CO2POLBCYP3A4CYP1A2CYP2D6
SCHEMBL16719299 0.76 POLB (0.44) MT-CO2POLBCYP3A4CYP1A2CYP2D6
SCHEMBL16719301 0.76 POLB (0.44) MT-CO2POLBCYP3A4CYP1A2CYP2D6
SCHEMBL1525503 0.75 MT-CO2 (0.38) MT-CO2STSPOLBCYP3A4CYP2C19
SCHEMBL22327650 0.75 MT-CO2 (0.42) MT-CO2APPCYP3A4CYP1A2CYP2D6
SCHEMBL2523360 0.74 AOC3 (0.47) MT-CO2APPCYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122922-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-01-25 EP 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-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF WEE2, AKT1S1, WEE1 MT-CO2 4127/4885MDM2 1142/4885STS 2909/4885

“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.