SCHEMBL5288950

SCHEMBL5288950

CCC(C)(CC)C(N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC1A2 P43004 4/20 0.37
SLC1A1 P43005 4/20 0.37
SLC1A3 P43003 3/20 0.37
SLC7A5 Q01650 2/20 0.36
GRIK1 P39086 4/20 0.35
GRIK2 Q13002 3/20 0.35
KIF11 P52732 1/20 0.33
DPP4 P27487 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL10443781 0.87 ALDH1A1 (0.45) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL24015558 0.87 ALDH1A1 (0.45) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL19246147 0.83 ALDH1A1 (0.42) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL19246467 0.83 ALDH1A1 (0.42) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL1631413 0.80 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL3821550 0.80 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL1769263 0.80 PTGS1 (0.52) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
SCHEMBL23760539 0.79 ALDH1A1 (0.38) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL7379812 0.78 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL23462497 0.78 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376694-B2 Method for preparing optically active amino acid using cosubstrate shuttling of transaminase INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-06-28 US claimed
US-20150284750-A1 METHOD FOR PREPARING OPTICALLY ACTIVE AMINO ACID USING COSUBSTRATE SHUTTLING OF TRANSAMINASE INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2015-10-08 US claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-20230357307-A1 CLEAVABLE CYCLIC LOOP NUCLEOTIDES FOR NANOPORE SEQUENCING ILLUMINA, INC. 2023-11-09 US disclosed
US-20230053449-A1 DC-SIGN ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2023-02-23 US disclosed
EP-3613422-A1 WOUND HEALING PROMOTER Nahls Corporation Co., Ltd. (JP) 2020-02-26 EP disclosed
US-9376694-B2 Method for preparing optically active amino acid using cosubstrate shuttling of transaminase INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-06-28 US disclosed
US-20150284750-A1 METHOD FOR PREPARING OPTICALLY ACTIVE AMINO ACID USING COSUBSTRATE SHUTTLING OF TRANSAMINASE INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2015-10-08 US disclosed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
US-20060293227-A1 Cosmetic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 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-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 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-20230053449-A1 DC-SIGN ANTIBODY DRUG CONJUGATES DCUN1D4, CD14, DCUN1D3 ALDH1A1 2550/4885MAPT 1439/4885PTGS1 4363/4885
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 ALDH1A1 1353/4885MAPT 4425/4885PTGS1 118/4885
US-20230357307-A1 CLEAVABLE CYCLIC LOOP NUCLEOTIDES FOR NANOPORE SEQUENCING TENT4A, TENT4B, DNTT ALDH1A1 4509/4885MAPT 4102/4885PTGS1 4767/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 ALDH1A1 697/4885MAPT 3370/4885PTGS1 433/4885

“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.