SCHEMBL334982

SCHEMBL334982

CCOC(=O)CC(N)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 7/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 3/20 0.37
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
CHRM1 P11229 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36

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
Hydrochloric Acid SCHEMBL30080034 0.98 CYP2D6 (0.41) CYP2D6GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL334981 0.98 CYP2D6 (0.41) CYP2D6GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL30141835 0.98 CYP2D6 (0.41) CYP2D6GAAMGAMSIMGAM2
SCHEMBL4818909 0.91 CYP2D6 (0.46) CYP2D6GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL7656869 0.90 CYP2D6 (0.44) CYP2D6GAAMGAMSIMGAM2
SCHEMBL17857467 0.85 CYP2D6 (0.36) CYP2D6GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL28170279 0.84 SOAT1 (0.44) CYP2D6GAAMGAMSIMGAM2
SCHEMBL27649923 0.81 CYP1A2 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28081696 0.80 TSHR (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15534191 0.80 MGAM (0.44) CYP2D6GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105712926-B Substituted biaryl perfume base benzenesulfonamides and application thereof 沈阳中化农药化工研发有限公司 2019-01-04 CN disclosed
CN-105712926-A Substituted biaryl benzenesulfonamide compound and application thereof 沈阳中化农药化工研发有限公司 2016-06-29 CN disclosed
US-8222404-B2 [1,2,4]Thiadiazin-3-yl acetic acid compound and methods of making the acetic acid compound ANADYS PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ANADYS PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8097613-B2 [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
WO-2009152166-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
EP-1237846-B1 PREPARATION OF 3-AMINO-3-CYCLOPROPYLPROPANOATE ESTERS EASTMAN CHEM CO (US) 2004-05-19 EP disclosed
EP-1237846-A1 PREPARATION OF 3-AMINO-3-CYCLOPROPYLPROPANOATE ESTERS EASTMAN CHEMICAL COMPANY (US) 2002-09-11 EP disclosed
EP-1237848-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-3-CYCLOPROPYLPROPANOATE ESTERS EASTMAN CHEMICAL COMPANY (US) 2002-09-11 EP disclosed
EP-0542708-B1 Substituted beta-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2001-05-30 EP disclosed
US-6207854-B1 Preparation of 3-amino-3-cyclopropylpropanoate esters EASTMAN CHEMICAL COMPANY 2001-03-27 US disclosed
US-5973003-A TREATMENT OF THROMBOSIS, STROKE, MYOCARDIAL INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS G. D. SEARLE & CO. (US) 1999-10-26 US disclosed
US-5703125-A MELT BLEND OF SOAP, SURFACTANT AND SOLVENT G. D. SEARLE & CO. (US) 1997-12-30 US disclosed
EP-0614360-B1 SUBSTITUTED BETA-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-03-19 EP disclosed
EP-0614360-A1 SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1994-09-14 EP disclosed
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
US-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed
EP-0542708-A1 Substituted B-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-05-19 EP disclosed
WO-1993007867-A1 SUBSTITUTED β-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 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 (2 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-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ACMSD, ACACA, ALDH1A1 CYP2D6 754/4885GAA 751/4885MGAM 3523/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 CYP2D6 144/4885GAA 3354/4885MGAM 4844/4885

“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.