SCHEMBL7647616

SCHEMBL7647616

CC(C)(O)C(C)(C)O.OB(O)CCl

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2272090 0.78
Boric Acid SCHEMBL474845 0.73 THRB (0.43) THRBALDH1A1
Boric Acid SCHEMBL4139673 0.73 THRB (0.43) THRBALDH1A1
Boric Acid SCHEMBL594481 0.73 THRB (0.43) THRBALDH1A1
Boric Acid SCHEMBL17962526 0.73 THRB (0.43) THRBALDH1A1
Boric Acid SCHEMBL4976220 0.73 THRB (0.43) THRBALDH1A1
Boric Acid SCHEMBL28285073 0.73 THRB (0.43) THRBALDH1A1
SCHEMBL10624554 0.73 GGT1 (0.32) THRBALDH1A1
Boric Acid SCHEMBL28230424 0.70 THRB (0.40) THRBALDH1A1
Boric Acid SCHEMBL28207524 0.70 THRB (0.40) THRBALDH1A1

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-9371337-B2 β-lactamase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-21 US disclosed
US-20140315861-A1 BETA-LACTAMASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-23 US disclosed
WO-2013056163-A1 BETA-LACTAMASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-18 WO disclosed
WO-2002022137-A1 β-LACTAM ANALOGS AND USES THEREFOR SHOICHET BRIAN K (US) 2002-03-21 WO 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-20140315861-A1 BETA-LACTAMASE INHIBITORS BTD, GUSB, BLVRB THRB 456/4885ALDH1A1 824/4885

“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.