SCHEMBL5807

SCHEMBL5807

CCC(C[C@](C)(C(=O)O)S(C)(=O)=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.40
F11 P03951 3/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
LIPG Q9Y5X9 7/20 0.37
LPL P06858 6/20 0.37
AAK1 Q2M2I8 1/20 0.37
CA1 P00915 6/20 0.37
CA2 P00918 6/20 0.37
CA9 Q16790 6/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL16136707 0.79 FPR2 (0.39)
SCHEMBL5978 0.76 F11 (0.52) F2F11PRSS1PRSS2PRSS3
SCHEMBL5984 0.76 F11 (0.52) F2F11PRSS1PRSS2PRSS3
SCHEMBL10097 0.76 ESR1 (0.41) ESR2
SCHEMBL15096663 0.75 LIPG (0.56) F11LIPGLPLCA1CA2
SCHEMBL2546307 0.73 LIPG (0.42) F2F11PRSS1PRSS2PRSS3
SCHEMBL5809 0.73 F11 (0.46) F2F11PRSS1PRSS2PRSS3
SCHEMBL1312493 0.71 LIPG (0.47) F2F11PRSS1PRSS2PRSS3
SCHEMBL1768087 0.71 LIPG (0.47) F2F11PRSS1PRSS2PRSS3
SCHEMBL2551126 0.71 AAK1 (0.41) F2F11PRSS1PRSS2PRSS3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 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-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A F2 3846/4885F11 1218/4885PRSS1 1419/4885

“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.