SCHEMBL25641944

SCHEMBL25641944

CO[C@H]1C[C@H](C(=O)O)[C@H](NC(=O)OCc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.59
▸ ALDH1A1 P00352 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ EPHX1 P07099 1/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 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
SCHEMBL26612988 1.00 CPB1 (0.59) CPB1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL26612994 1.00 CPB1 (0.59) CPB1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL29046711 1.00 CPB1 (0.59) CPB1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL24515782 0.91 CPB1 (0.67) CPB1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL30288635 0.91 CPB1 (0.67) CPB1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL31045485 0.88 CPB1 (0.61) CPB1ALDH1A1GAACYP1A2TSHR
SCHEMBL3063260 0.83 CPB1 (0.72) CPB1ALDH1A1GAACYP1A2TSHR
SCHEMBL29046610 0.83 CPB1 (0.72) CPB1ALDH1A1GAACYP1A2TSHR
SCHEMBL10148184 0.83 CPB1 (0.72) CPB1ALDH1A1GAACYP1A2TSHR
SCHEMBL579214 0.83 CPB1 (0.72) CPB1ALDH1A1GAACYP1A2TSHR

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-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 — — US disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 — — US disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 — — 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 (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-11667602-B2 Compounds and their use RXFP1, RXFP3, RXFP2 CPB1 2014/4885ALDH1A1 1531/4885GAA 3044/4885
US-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 CPB1 2014/4885ALDH1A1 1531/4885GAA 3044/4885

“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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