SCHEMBL600697

SCHEMBL600697

CC(C)CC(O)(O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.33

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
SCHEMBL9788182 0.75 TSHR (0.30) TSHR
SCHEMBL9788189 0.75 TSHR (0.30) TSHR
SCHEMBL10448455 0.73 ALDH1A1 (0.39) ALDH1A1CYP2C19TSHR
SCHEMBL898948 0.73 ALDH1A1 (0.39) ALDH1A1CYP2C19TSHR
SCHEMBL14054116 0.73 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL10306782 0.72 TSHR (0.38) ALDH1A1CYP2C19TSHR
SCHEMBL10937538 0.72 TSHR (0.38) ALDH1A1CYP2C19TSHR
SCHEMBL8648090 0.72
SCHEMBL10024523 0.71 ALDH1A1 (0.37) ALDH1A1CYP2C19TSHR
SCHEMBL1396792 0.69

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 241 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP claimed
US-10669292-B2 Synthesis of boronate salts and uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2020-06-02 US claimed
EP-3604316-A1 SYNTHESIS OF BORONATE SALTS Rempex Pharmaceuticals, Inc. (US) 2020-02-05 EP claimed
US-20200031851-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF MELINTA SUBSIDIARY CORP. 2020-01-30 US claimed
EP-1660507-B2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME MILLENNIUM PHARM INC (US) 2017-01-04 EP claimed
EP-1689757-B1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORP (US) 2014-08-27 EP claimed
US-8415295-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2013-04-09 US claimed
US-7767828-B2 Methyl and ethyl substituted pyrrolidine compounds and methods for selective inhibition of dipeptidyl peptidase-IV PHENOMIX CORPORATION (US) 2010-08-03 US claimed
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2010-05-13 US claimed
EP-1660507-B9 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-03-24 EP claimed
EP-1261611-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-12-04 EP claimed
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-11-28 US claimed
WO-2002057273-A9 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LTD (GB) 2002-11-28 WO claimed
WO-2002057273-A1 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LIMITED (GB) 2002-07-25 WO claimed
WO-2002054931-A2 ALPHA-AMINOBORONIC ACIDS PREPARED BY NOVEL SYNTHETIC METHODS BRISTOL MYERS SQUIBB COMPANY P (US) 2002-07-18 WO claimed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US claimed
EP-1206449-A1 LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-22 EP claimed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO claimed
WO-2001007407-A1 LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-02-01 WO claimed
US-5639739-A USEFUL FOR TREATING THROMBOSIS IN MAMMALS BY INHIBITING TRYPSIN-LIKE SERINE PROTEASE ENZYMES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20200031851-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF BTD, BCL6B, BRI3BP ALDH1A1 3175/4885CYP2C19 1386/4885TSHR 3061/4885
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 ALDH1A1 1353/4885CYP2C19 279/4885TSHR 3998/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 ALDH1A1 2283/4885CYP2C19 1118/4885TSHR 4432/4885
US-10669292-B2 Synthesis of boronate salts and uses thereof BTD, BCL6B, BRI3BP ALDH1A1 3175/4885CYP2C19 1386/4885TSHR 3061/4885
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS DPP4, DPP7, DPP3 ALDH1A1 1584/4885CYP2C19 955/4885TSHR 228/4885

“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.