SCHEMBL9170486

SCHEMBL9170486

C=CCOC(=O)C(=NO)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
PTP4A3 O75365 1/20 0.32
PTP4A2 Q12974 1/20 0.32
PTP4A1 Q93096 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GLO1 Q04760 1/20 0.31
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL9170481 1.00 TSHR (0.37) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL11667699 0.81 TSHR (0.39) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL6838883 0.80 TSHR (0.39) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL29710697 0.79
SCHEMBL149514 0.79
SCHEMBL9175808 0.78 CYP3A4 (0.33) TSHRCYP3A4MAPTCACNA1BAPBA1
SCHEMBL9175802 0.78 CYP3A4 (0.33) TSHRCYP3A4MAPTCACNA1BAPBA1
Acetic Acid SCHEMBL28514941 0.75 TSHR (0.41) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL1077904 0.75 GLO1 (0.48) TSHRMAPTALDH1A1HSD17B10GLO1
SCHEMBL8282623 0.75 GLO1 (0.48) TSHRMAPTALDH1A1HSD17B10GLO1

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-9862978-B2 Method for preparing (2RS)-amino-(3S)-hydroxy-butyric acid and its derivatives AMINOLOGICS CO. LTD. (KR) 2018-01-09 US claimed
US-20160017389-A1 METHOD FOR PREPARING (2RS)-AMINO-(3S)-HYDROXY-BUTYRIC ACID AND ITS DERIVATIVES AMINOLOGICS CO., LTD. (KR) 2016-01-21 US claimed
US-9862978-B2 Method for preparing (2RS)-amino-(3S)-hydroxy-butyric acid and its derivatives AMINOLOGICS CO. LTD. (KR) 2018-01-09 US disclosed
US-20160017389-A1 METHOD FOR PREPARING (2RS)-AMINO-(3S)-HYDROXY-BUTYRIC ACID AND ITS DERIVATIVES AMINOLOGICS CO., LTD. (KR) 2016-01-21 US disclosed
EP-0669927-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC. (US) 1995-09-06 EP disclosed
EP-0382220-B1 Method for preparing aminothiazolylacetic acid derivatives MEIJI SEIKA KAISHA (JP) 1995-06-28 EP disclosed
US-5405938-A Hydrogen bonding an N-heterocyclic-substituted ribose-based polymer to a double-stranded DNA to block genetic activity, to diagnose for pathogens and to aid in genetic engineering ANTI-GENE DEVELOPMENT GROUP (US) 1995-04-11 US disclosed
WO-1994012517-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC. (US) 1994-06-09 WO disclosed
US-4161591-A SUBSTITUTED 2-(CARBAMOYL)OXYIMINO-3-IMINO-BUTYRAMIDES AND -BUTYRATES, APHIDICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-07-17 US disclosed
US-4161591-A SUBSTITUTED 2-(CARBAMOYL)OXYIMINO-3-IMINO-BUTYRAMIDES AND -BUTYRATES, APHIDICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-07-17 US disclosed
US-4151296-A APHIDICIDES, SYSTEMIC AND FOLIAR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-24 US disclosed
US-4151296-A APHIDICIDES, SYSTEMIC AND FOLIAR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-24 US disclosed
US-4059623-A APHIDICIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-11-22 US disclosed
US-4059623-A APHIDICIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-11-22 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 (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-20160017389-A1 METHOD FOR PREPARING (2RS)-AMINO-(3S)-HYDROXY-BUTYRIC ACID AND ITS DERIVATIVES ALAD, CYP51A1, ALDH7A1 TSHR 2466/4885CYP3A4 56/4885TDP1 3885/4885

“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.