.Beta.-Hydroxyisovaleric Acid

.Beta.-Hydroxyisovaleric Acid

SCHEMBL5101729

CC(C)(O)CC(=O)O.ClCCl

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.57
CHRM1 P11229 1/20 0.57
TBXA2R P21731 1/20 0.57
ADRA1A P35348 1/20 0.57
TSHR P16473 3/20 0.48
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 2/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 2/20 0.43
CPT2 P23786 2/20 0.42
KDM4E B2RXH2 1/20 0.42
FFAR1 O14842 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIK3CD O00329 1/20 0.37
ACLY P53396 3/20 0.36
TET2 Q6N021 1/20 0.34

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.

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342005-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2008-03-11 US disclosed
US-7041836-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2006-05-09 US disclosed
US-20050209212-A1 Antibiotic compounds ASTRAZENECA UK LIMITED 2005-09-22 US disclosed
WO-2005056607-A1 PROCESS FOR PRODUCTION OF INCLUSION COMPLEXES OF VALSARTAN WITH β-CYCLODEXTRIN BELUPO-LIJEKOVI I KOZMETIKA D.D. (HR) 2005-06-23 WO disclosed
US-20030144264-A1 Antibiotic compounds ZENECA LIMITED 2003-07-31 US disclosed
US-6521612-B2 Antibiotic against grampositive, gramnegative bacteria ZENECA LTD. (GB) 2003-02-18 US disclosed
US-20020042408-A1 Antibiotic compounds ZENECA LIMITED 2002-04-11 US disclosed
US-6187804-B1 Antibiotic compounds ZENECA LIMITED (GB) 2001-02-13 US disclosed
US-5856321-A PREPARATION OF CARBAPENEMS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0579826-B1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LTD (GB) 1998-11-11 EP disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 WO disclosed
US-4232164-A Purification of AT-125 THE UPJOHN COMPANY (US) 1980-11-04 US disclosed
US-4225720-A Purification of AT-125 THE UPJOHN COMPANY (US) 1980-09-30 US disclosed
US-4188324-A Purification of AT-125 THE UPJOHN COMPANY (US) 1980-02-12 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 (3 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-20050209212-A1 Antibiotic compounds NRDC, NPR3, NGLY1 HMGCR 674/4885CHRM1 394/4885TBXA2R 4786/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 HMGCR 349/4885CHRM1 593/4885TBXA2R 4870/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 HMGCR 376/4885CHRM1 651/4885TBXA2R 4869/4885

“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.