SCHEMBL390495

SCHEMBL390495

CCC(CC)C(=O)OCOC(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL12044965 0.79 CA2 (0.38) ALDH1A1CA2CA1USP2TSHR
SCHEMBL4490991 0.79 MGAM (0.50) ALDH1A1CA2CA1USP2TSHR
SCHEMBL10249594 0.77
SCHEMBL7923174 0.76 CA2 (0.39) ALDH1A1CA2CA1USP2TSHR
SCHEMBL1815860 0.76 NPC1 (0.32) ALDH1A1
SCHEMBL4490988 0.74 MGAM (0.39) ALDH1A1CA2CA1USP2TSHR
SCHEMBL5213533 0.73 NAAA (0.43) ALDH1A1TSHR
SCHEMBL3090549 0.73 CA2 (0.40) ALDH1A1CA2CA1USP2TSHR
SCHEMBL7877041 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7716083 0.72 ALDH1A1 (0.33) ALDH1A1CA2CA1USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 ALDH1A1 1826/4885CA2 1296/4885CA1 3111/4885

“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.