SCHEMBL218283

SCHEMBL218283

CC(CBr)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
APLNR P35414 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1922837 0.83 NOS1 (0.36) CA1CA2CA7NOS1NOS3
SCHEMBL15681459 0.83 NOS1 (0.36) CA1CA2CA7NOS1NOS3
SCHEMBL14593924 0.81 CA1 (0.38) CA1CA2CA7NOS1NOS3
SCHEMBL19889516 0.79 CA1 (0.36) CA1CA2CA7NOS1NOS3
SCHEMBL6740260 0.79 CA1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL110481 0.79 CA1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL12309460 0.79 CA1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL12567766 0.79 CA1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL16665545 0.79 CA1 (0.37) CA1CA2CA7NOS1NOS3
SCHEMBL6740257 0.79 CA1 (0.37) CA1CA2CA7NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115651130-A Core-shell structure flame retardant, preparation method and application thereof in preparation of low smoke density material 万华化学(宁波)有限公司 2023-01-31 CN claimed
CN-112266500-B Marking powder, preparation method and application thereof, high-rigidity PC alloy suitable for laser marking and preparation method thereof 万华化学(四川)有限公司 2022-03-11 CN claimed
CN-118994049-B Synthesis method of ceftazidime side chain ethyl ester 山东金城医药化工有限公司 2025-02-14 CN disclosed
CN-118994049-A Synthesis method of ceftazidime side chain ethyl ester 山东金城医药化工有限公司 2024-11-22 CN disclosed
CN-110234320-B Composition comprising at least one pharmaceutically acceptable salt of eprofibrate dissolved in an aqueous medium and having improved intestinal absorption 纳什制药公司 2023-10-24 CN disclosed
CN-115651130-A Core-shell structure flame retardant, preparation method and application thereof in preparation of low smoke density material 万华化学(宁波)有限公司 2023-01-31 CN disclosed
CN-112266500-B Marking powder, preparation method and application thereof, high-rigidity PC alloy suitable for laser marking and preparation method thereof 万华化学(四川)有限公司 2022-03-11 CN disclosed
US-11185520-B2 Composition comprising at least one water-soluble pharmaceutically acceptable salt of elafibranor having improved intestinal absorption NASHPHARM (FR) 2021-11-30 US disclosed
CN-112266500-A Marking powder, preparation method and application thereof, high-rigidity PC alloy suitable for laser marking and preparation method thereof 万华化学(四川)有限公司 2021-01-26 CN disclosed
US-20190274982-A1 COMPOSITION COMPRISING AT LEAST ONE WATER-SOLUBLE PHARMACEUTICALLY ACCEPTABLE SALT OF ELAFIBRANOR HAVING IMPROVED INTESTINAL ABSORPTION NASHPHARM (FR) 2019-09-12 US disclosed
EP-3518916-A1 COMPOSITION COMPRISING AT LEAST ONE WATER-SOLUBLE PHARMACEUTICALLY ACCEPTABLE SALT OF ELAFIBRANOR HAVING IMPROVED INTESTINAL ABSORPTION Nashpharm (FR) 2019-08-07 EP disclosed
US-20040072802-A1 Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha DUAN JINGWU (US) 2004-04-15 US disclosed
EP-1263756-B1 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-02-25 EP disclosed
EP-1335908-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2003-08-20 EP disclosed
US-6495565-B2 FOR THERAPY OF ACUTE INFECTION, ACUTE PHASE RESPONSE, AGE RELATED MACULAR DEGENERATION, ALCOHOLISM, ANOREXIA, ASTHMA, AUTOIMMUNE DISEASE, AUTOIMMUNE HEPATITIS, BECHET'S DISEASE, CACHEXIA, CALCIUM PYROPHOSPHATE DIHYDRTATE DEPOSITION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
WO-2002038553-A2 TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 WO disclosed
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 US disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed
WO-2001027077-A2 HYDROXYSULFONYLALKYLENE-, PHOSPHONOALKYLENE- OR DIFLUORO(PHOSPHONONON)METHYL- SUBSTITUTED BENZENE, OR BENZOFURAN DERIVATIVES AS NON-PEPTIDIC CDC25 INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-04-19 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-20040072802-A1 Beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha TNF, XPNPEP1, MMP2 CA1 286/4885CA2 1611/4885CA7 1492/4885
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha TNF, XPNPEP1, MMP2 CA1 278/4885CA2 1446/4885CA7 1558/4885

“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.