SCHEMBL24979441

SCHEMBL24979441

CC(C)(C)OC(=O)N1CC2(CC(OC[C@H](NC(=O)OCc3ccccc3)C(=O)O)C2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
P2RX7 Q99572 8/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 1/20 0.44
YAP1 P46937 1/20 0.44
SYK P43405 1/20 0.43
MAPK1 P28482 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL24978949 0.94 YAP1 (0.46) P2RX7CYP3A4CYP2C9TSHRALDH1A1
SCHEMBL22433814 0.94 YAP1 (0.46) P2RX7CYP3A4CYP2C9TSHRALDH1A1
SCHEMBL24979440 0.86 YAP1 (0.54) PPARAP2RX7YAP1MAPK1
SCHEMBL24979705 0.85 BACE1 (0.47)
SCHEMBL22433654 0.85 BACE1 (0.47)
SCHEMBL22552666 0.84 PPARA (0.51) PPARACYP3A4CYP2C9TSHRALDH1A1
SCHEMBL22552668 0.84 PPARA (0.51) PPARACYP3A4CYP2C9TSHRALDH1A1
SCHEMBL12414109 0.82 STS (0.44) MEN1KMT2AABCB1
SCHEMBL20158205 0.81 YAP1 (0.49) P2RX7YAP1SYKABCB1
SCHEMBL28743990 0.81 YAP1 (0.49) P2RX7YAP1SYKABCB1

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-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2023-01-26 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-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP PPARA 455/4885P2RX7 2166/4885CYP3A4 4641/4885

“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.