SCHEMBL4488255

SCHEMBL4488255

CC(C)COC(=O)OC(C)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS1 P23219 1/20 0.38
APEX1 P27695 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.32
P2RX4 Q99571 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 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
SCHEMBL14972657 0.86 TSHR (0.30) TSHR
SCHEMBL22556011 0.83 TSHR (0.32) TSHR
SCHEMBL31731225 0.81 TSHR (0.46) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL3116763 0.81 TSHR (0.46) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL28681494 0.81 PRKCA (0.33)
SCHEMBL6887577 0.81 TSHR (0.37) TSHRALDH1A1TDP1LMNACYP3A4
SCHEMBL10662849 0.81 MAPT (0.42) ALDH1A1MAPT
SCHEMBL25435787 0.80 TSHR (0.54) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL37351 0.80 TSHR (0.54) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL22556029 0.79 TDP1 (0.40) TSHRALDH1A1TDP1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003111-B Preparation method of 2-aryl-3-ether-3-pyrazole acrylonitrile compound 浙江省化工研究院有限公司 2020-11-13 CN disclosed
US-7553989-B2 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-30 US disclosed
US-20050272950-A1 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 2005-12-08 US disclosed
EP-1561748-A1 MALONIC ACID MONOESTERS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-08-10 EP disclosed
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP disclosed
US-4755598-A 1'-(substituted)ethyl-7β-[2-(2-aminothiazol-4-yl)acetamido]-3-[[[1-(2-dimethylaminoethyl)-1H-tetrazol-5-yl]thio]methyl]ceph-3-em-4-carboxylate derivatives having antibacterial utility TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-07-05 US disclosed
EP-0128028-A2 Cephalosporin derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-12-12 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 (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-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 TSHR 4209/4885ALDH1A1 1161/4885TDP1 3544/4885
US-20050272950-A1 Malonic acid monoesters and process for producing the same ME1, SI, ME3 TSHR 4549/4885ALDH1A1 132/4885TDP1 4614/4885

“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.