SCHEMBL21703853

SCHEMBL21703853

COC(=O)[C@@]1(O)C[C@@H](O)[C@@H]2OC(C)(C)O[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.33
MMP2 P08253 2/20 0.33
DPP4 P27487 1/20 0.33
PTPN1 P18031 2/20 0.33
MMP1 P03956 3/20 0.32
MMP9 P14780 3/20 0.32
ADAM17 P78536 2/20 0.32
MGAM O43451 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
ACHE P22303 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MMP12 P39900 1/20 0.30
MMP13 P45452 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 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
SCHEMBL10301516 0.87 MMP2 (0.33) MMP3MMP2DPP4PTPN1MMP1
SCHEMBL15481368 0.84 F10 (0.31)
SCHEMBL7202173 0.83 MGAM (0.33) MGAMCA1CA2GAASI
SCHEMBL16280944 0.83 CA2 (0.33) MGAMCA1CA2GAASI
SCHEMBL21744713 0.82 MMP2 (0.32) MMP3MMP2DPP4PTPN1
SCHEMBL12783389 0.78 MMP2 (0.30) MMP3MMP2DPP4
SCHEMBL17466773 0.77
SCHEMBL10001423 0.76 POLB (0.36)
SCHEMBL596288 0.76 POLB (0.36)
SCHEMBL14359030 0.76 MGAM (0.32) MGAMCA1CA2GAASI

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-20200048183-A1 ANTIMICROBIAL AGENTS UNIV WARWICK (GB) 2020-02-13 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-20200048183-A1 ANTIMICROBIAL AGENTS C3AR1, HCAR3, C5AR1 MMP3 4127/4885MMP2 3509/4885DPP4 4168/4885

“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.