SCHEMBL26210873

SCHEMBL26210873

COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)[C@H](C)Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
MMP2 P08253 2/20 0.43
CYP3A4 P08684 2/20 0.42
P2RX3 P56373 1/20 0.39
MC4R P32245 3/20 0.38
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
MC1R Q01726 1/20 0.38
DPP4 P27487 2/20 0.38
PEPD P12955 2/20 0.37
XPNPEP1 Q9NQW7 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL26210874 0.88 DPP4 (0.52) ATMMMP2CYP3A4DPP4PEPD
SCHEMBL26210824 0.88 CYP3A4 (0.47) ATMMMP2CYP3A4MC4RMC5R
Trifluoroacetic Acid SCHEMBL30574559 0.83 DPP4 (0.48) ATMMMP2DPP4
SCHEMBL30574558 0.81 CACNA1B (0.44) MMP2P2RX3
SCHEMBL26210944 0.79 ALDH1A1 (0.47) DPP4
SCHEMBL26439623 0.77 PRSS1 (0.44) ATMMMP2DPP4PEPDXPNPEP1
SCHEMBL26439510 0.77 ENPP2 (0.43) ATMCYP3A4MC4RMC5RMC3R
SCHEMBL26211357 0.77 ENPP2 (0.43) ATMCYP3A4MC4RMC5RMC3R
SCHEMBL20446655 0.76 MMP2 (0.46) ATMMMP2CYP3A4
SCHEMBL20446654 0.76 MMP2 (0.46) ATMMMP2CYP3A4

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-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-09-07 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-20230278996-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA ATM 2618/4885MMP2 315/4885CYP3A4 4598/4885

“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.