SCHEMBL4453532

SCHEMBL4453532

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CA14 Q9ULX7 2/20 0.38
KMT2A Q03164 2/20 0.35
CA12 O43570 1/20 0.35
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL10704384 0.80 TSHR (0.42) CA14CA12L3MBTL1TSHRCA1
SCHEMBL10012464 0.79 SMN1; SMN2 (0.44) SMN1; SMN2CA14KMT2ACA12MEN1
SCHEMBL31468683 0.78 SMN1; SMN2 (0.39) SMN1; SMN2CA14KMT2ACA12MEN1
SCHEMBL13741138 0.77 SMN1; SMN2 (0.42) SMN1; SMN2CA14KMT2ACA12ALDH1A1
SCHEMBL13741176 0.77 SMN1; SMN2 (0.42) SMN1; SMN2CA14KMT2ACA12ALDH1A1
SCHEMBL4446595 0.77 SMN1; SMN2 (0.42) SMN1; SMN2CA14KMT2ACA12ALDH1A1
SCHEMBL5864497 0.77 TSHR (0.50) SMN1; SMN2CA14KMT2ACA12MAPT
SCHEMBL6882473 0.77 SMN1; SMN2 (0.40) SMN1; SMN2CA14KMT2ACA12ALDH1A1
SCHEMBL10017663 0.77 SMN1; SMN2 (0.42) SMN1; SMN2CA14KMT2ACA12ALDH1A1
SCHEMBL866170 0.77 TSHR (0.50) SMN1; SMN2CA14KMT2ACA12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163435-B1 PREPARATION OF 2-CHLOROPROPIONIC ACID ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-26 EP claimed
EP-0163435-A2 Preparation of 2-chloropropionic acid esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 EP claimed
US-20230312499-A1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2023-10-05 US disclosed
EP-2800565-B1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-03-25 EP disclosed
EP-2029516-B1 PROCESS FOR PREPARING FLUORINATED MOLECULES BAYER IP GMBH (DE) 2015-08-05 EP disclosed
EP-2029516-A1 PROCESS FOR PREPARING FLUORINATED MOLECULES Bayer CropScience AG (DE) 2009-03-04 EP disclosed
US-20070287855-A1 Process for Preparing Fluorinated Molecules BAYER CROPSCIENCE AG (DE) 2007-12-13 US disclosed
WO-2007140908-A1 PROCESS FOR PREPARING FLUORINATED MOLECULES BAYER CROPSCIENCE AG (DE) 2007-12-13 WO disclosed
US-20050014787-A1 5-amidino-2-hydroxybenzenesulfonamide derivatives medicinal compoistions containing the same medicinal use thereof and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1443041-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP disclosed
EP-0163435-B1 PREPARATION OF 2-CHLOROPROPIONIC ACID ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-26 EP disclosed
EP-0163435-A2 Preparation of 2-chloropropionic acid esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 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 (3 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-20070287855-A1 Process for Preparing Fluorinated Molecules HDHD5, CYP8B1, DHCR7 SMN1; SMN2 4742/4885CA14 1023/4885KMT2A 2185/4885
US-20230312499-A1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, RABL6 SMN1; SMN2 2374/4885CA14 1310/4885KMT2A 1102/4885
US-20050014787-A1 5-amidino-2-hydroxybenzenesulfonamide derivatives medicinal compoistions containing the same medicinal use thereof and intermediates in the production thereof F2, HYPK, F10 SMN1; SMN2 1472/4885CA14 1198/4885KMT2A 1391/4885

“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.