SCHEMBL5280803

SCHEMBL5280803

CC(C)(C)c1cc(C(N)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLRA3 O75311 1/20 0.48
▸ GLRB P48167 1/20 0.48
▸ CA2 P00918 3/20 0.47
▸ CA1 P00915 2/20 0.47
▸ ALDH1A1 P00352 6/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ TYR P14679 1/20 0.45
▸ TDP1 Q9NUW8 5/20 0.44
▸ GAA P10253 2/20 0.44
▸ GABBR2 O75899 1/20 0.44
▸ GABBR1 Q9UBS5 1/20 0.44
▸ HSD17B10 Q99714 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ GRM1 Q13255 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ GRM2 Q14416 2/20 0.42

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
SCHEMBL11348465 0.81 GLRA3 (0.52) GLRA3GLRBCA2CA1ALDH1A1
Terbuficin SCHEMBL2110504 0.81 GLRA3 (0.52) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL5291906 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TYRTDP1HSD17B10
SCHEMBL8970708 0.80 CA2 (0.54) GLRA3GLRBCA2CA1ALDH1A1
Hydrazine SCHEMBL27641524 0.80 GLRA3 (0.47) GLRA3GLRBCA2CA1ALDH1A1
Hydrazine SCHEMBL28264032 0.80 GLRA3 (0.47) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL6275312 0.79 GLRA3 (0.50) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL100584 0.79 GLRA3 (0.50) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL11444175 0.79 GLRA3 (0.50) GLRA3GLRBCA2CA1ALDH1A1
SCHEMBL4895002 0.78 CA2 (0.56) GLRA3GLRBCA2CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 — — US claimed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 — — WO disclosed
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 — — US disclosed
US-20060293227-A1 Cosmetic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 — — US disclosed
US-6939854-B2 Peptide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-06 — — US disclosed
US-6846806-B2 Peptide inhibitors of Hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-25 — — US disclosed
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 — — US disclosed
US-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease PRIESTLEY E SCOTT (DE) 2004-07-29 — — US disclosed
US-6699855-B2 PYRROLOPYRAZINONES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2004-03-02 — — US disclosed
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 disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 — — US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 — — US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 — — EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 — — 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 (4 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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 GLRA3 2347/4885GLRB 2905/4885CA2 1494/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 GLRA3 4030/4885GLRB 3980/4885CA2 4387/4885
US-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease VIP, PRSS1, CTSC GLRA3 4021/4885GLRB 3980/4885CA2 4324/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 GLRA3 1839/4885GLRB 1845/4885CA2 869/4885

“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.

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