SCHEMBL52466

SCHEMBL52466

CC(C)(CC(=O)OC(C)(C)C)NCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 2/20 0.33
DGAT1 O75907 1/20 0.33
CTH P32929 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
CYP2C19 P33261 2/20 0.32
HIF1A Q16665 2/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PTPRC P08575 2/20 0.31

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
SCHEMBL6050243 0.86 CA12 (0.34) CA12CA2CA14TDP1CYP2D6
SCHEMBL7109527 0.83 TSHR (0.40) CA12CA2CA14TDP1CYP2D6
SCHEMBL2052655 0.82 GAA (0.42) MEN1GAAKMT2ACYP2C19TSHR
SCHEMBL19792256 0.82 TDP1 (0.35) CA12CA2CA14TDP1CYP2D6
SCHEMBL1115385 0.78 TDP1 (0.44) CA12CA2CA14TDP1CYP2D6
SCHEMBL7442333 0.78 GAA (0.42) MEN1GAAKMT2ACYP2C19TSHR
SCHEMBL27848464 0.78 DGAT1 (0.34) CA12CA2CA14TDP1CYP2D6
SCHEMBL6050247 0.77 CYP2D6 (0.38) CA12CA2CA14TDP1CYP2D6
SCHEMBL9683576 0.77 DGAT1 (0.37) CA12CA2CA14TDP1CYP2D6
SCHEMBL397677 0.75 CA2 (0.37) CA12CA2CA14TDP1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115068626-A Protein-polymer-drug conjugates 阿萨纳生物科技有限责任公司 2022-09-20 CN disclosed
CN-105813655-B Protein-polymer-drug conjugates 阿萨纳生物科技有限责任公司 2022-03-15 CN disclosed
EP-2709613-B2 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2020-08-12 EP disclosed
US-10456414-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2019-10-29 US disclosed
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 EP disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 US disclosed
EP-2162431-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2017-06-07 EP disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-20170042961-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC 2017-02-16 US disclosed
US-20160354425-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2016-12-08 US disclosed
US-6143895-A TETRAHYDROQUINOLINONE COMPOUND TREGA BIOSCIENCES, INC. (US) 2000-11-07 US disclosed
EP-1021404-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-07-26 EP disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
WO-1999018071-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-04-15 WO disclosed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US disclosed
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed
US-5304549-A Control or prevention of degenerative joint diseases HOFFMANN-LA ROCHE INC. (US) 1994-04-19 US disclosed
EP-0497192-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 EP disclosed
EP-0443573-A2 HIV protease inhibitors containing derived amino acids BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP 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-20160354425-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC CA12 1011/4885CA2 2505/4885CA14 1615/4885
US-10456414-B2 Methods for treating HCV HAVCR2, HCCS, LIPC CA12 1011/4885CA2 2505/4885CA14 1615/4885
US-20170189439-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC CA12 1011/4885CA2 2505/4885CA14 1615/4885
US-20170042961-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC CA12 1011/4885CA2 2505/4885CA14 1615/4885

“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.