SCHEMBL2633760

SCHEMBL2633760

CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.47
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ KDM1A O60341 2/20 0.44
▸ MAOB P27338 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ GABRR1 P24046 1/20 0.42
▸ CTSK P43235 2/20 0.40
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ KCNA3 P22001 1/20 0.39
▸ EPHX1 P07099 1/20 0.38

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
SCHEMBL15559191 1.00 BTK (0.47) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL15233218 1.00 BTK (0.47) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL10013142 0.88 NFKB1 (0.44) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL6644209 0.87 CES2 (0.50) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL12519778 0.87 CES2 (0.50) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL6566000 0.86 NFKB1 (0.43) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL15233198 0.86 NFKB1 (0.43) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL7551263 0.86 NFKB1 (0.43) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL30691598 0.85 BTK (0.48) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL6839332 0.81 NFKB1 (0.40) BTKNFKB1NFKB2RELAKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448916-B1 PRODUCTION OF TRANS-4-AMINOCYCLOPENT-2-ENE-1-CARBOXYLIC ACID DERIVATIVES REDDYS LAB LTD DR (IN) 2014-09-03 — — EP disclosed
US-8524943-B2 Production of trans-4-aminocyclopent-2-ene-1-carboxylic acid derivatives DR. REDDY'S LABORATORIES, INC. (US) 2013-09-03 — — US disclosed
US-20120101297-A1 PRODUCTION OF TRANS-4-AMINOCYCLOPENT-2-ENE-1-CARBOXYLIC ACID DERIVATIVES DR. REDDY'S LABORATORIES, INC. (US) 2012-04-26 — — US disclosed
WO-2011003061-A2 PRODUCTION OF TRAN S-4-AMINOCYCLOPENT-2-ENE-1-CARBOXYLIC ACID DERIVATIVES DR. REDDY'S LABORATORIES LTD. (IN) 2011-01-06 — — WO disclosed
EP-1210324-B1 SUBSTITUTED CYCLOPENTENES, THEIR PREPARATION AND THEIR USE FOR CHIRAL SCAFFOLDS CHIROTECH TECHNOLOGY LTD (GB) 2004-03-31 — — 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 (1 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-20120101297-A1 PRODUCTION OF TRANS-4-AMINOCYCLOPENT-2-ENE-1-CARBOXYLIC ACID DERIVATIVES COASY, BCAT1, ALDH7A1 BTK 4809/4885NFKB1 1427/4885NFKB2 2293/4885

“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.

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