SCHEMBL25568372

SCHEMBL25568372

C=CC[C@]1(C(=O)OC)C[C@H](C)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL25568370 1.00 CYP4F2 (0.33) CYP4F2CYP4A11ALDH1A1MAPTLMNA
SCHEMBL15237366 0.83 CYP4F2 (0.35) CYP4F2CYP4A11
SCHEMBL34475462 0.80 CYP4F2 (0.30) CYP4F2CYP4A11CYP3A4TSHRCYP2C19
SCHEMBL25568367 0.79 CYP1A2 (0.34)
SCHEMBL25188768 0.78 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1MAPTLMNA
SCHEMBL25568327 0.77 CYP4F2 (0.41) CYP4F2CYP4A11MAPT
SCHEMBL34476313 0.76 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1MAPTLMNA
SCHEMBL2633828 0.76 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1MAPTLMNA
SCHEMBL356582 0.76 CYP4F2 (0.34) CYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL6935574 0.76 CHRNB2 (0.31)

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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM CYP4F2 651/4885CYP4A11 2709/4885ALDH1A1 4179/4885

“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.