SCHEMBL4020872

SCHEMBL4020872

O=C(O)CC(=O)c1ccccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 3/20 0.72
▸ FEN1 P39748 3/20 0.72
▸ POLB P06746 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.59
▸ CES2 O00748 1/20 0.56
▸ CES1 P23141 1/20 0.56
▸ MEN1 O00255 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ NPC1 O15118 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ GFER P55789 1/20 0.47
▸ SMO Q99835 2/20 0.47

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
SCHEMBL29987169 0.89 ERCC5 (0.74) ERCC5FEN1POLBALDH1A1CES2
SCHEMBL28066677 0.84 FEN1 (1.00) ERCC5FEN1POLBALDH1A1CES2
SCHEMBL8180621 0.84 ERCC5 (0.68) ERCC5FEN1POLBALDH1A1CES2
SCHEMBL29033943 0.83 ERCC5 (0.67) ERCC5FEN1POLBALDH1A1CES2
SCHEMBL30802824 0.82 ERCC5 (0.65) ERCC5FEN1POLBALDH1A1CES2
SCHEMBL10576213 0.82 ERCC5 (0.59) ERCC5FEN1POLBALDH1A1CES2
SCHEMBL2519308 0.82 ERCC5 (0.65) ERCC5FEN1POLBALDH1A1CES2
SCHEMBL2492019 0.82 ERCC5 (0.65) ERCC5FEN1POLBALDH1A1CES2
SCHEMBL15979733 0.80 CES2 (0.62) ERCC5FEN1POLBALDH1A1CES2
SCHEMBL31582272 0.80 MEN1 (0.69) ERCC5FEN1POLBALDH1A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106995394-B The preparation method of β -one sulfones 齐齐哈尔大学 2018-09-07 — — CN claimed
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 — — CN claimed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 — — CN claimed
CN-106995394-A The preparation method of β ketone sulfones 齐齐哈尔大学 2017-08-01 — — CN claimed
EP-3268372-B9 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION 4SC AG (DE) 2021-03-31 — — EP disclosed
US-20200377514-A1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION 4SC AG (DE) 2020-12-03 — — US disclosed
US-10822345-B2 KV1.3 inhibitors and their medical application 4SC AG (DE) 2020-11-03 — — US disclosed
US-20200339592-A1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION 4SC AG (DE) 2020-10-29 — — US disclosed
US-10723743-B2 Kv1.3 inhibitors and their medical application 4SC AG (DE) 2020-07-28 — — US disclosed
EP-3268372-B1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION 4SC AG (DE) 2020-07-01 — — EP disclosed
US-20190352308-A1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATIONS 4SC AG (DE) 2019-11-21 — — US disclosed
EP-3268374-B1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION 4SC AG (DE) 2019-09-25 — — EP disclosed
WO-2004094421-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-04 — — WO disclosed
US-20040009975-A1 Novel pyrimidinedione derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2004-01-15 — — US disclosed
WO-2003084937-A2 PYRIMIDINEDIONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 — — WO disclosed
EP-0112617-B1 PROCESS FOR THE EXTRACTION OF METAL VALUES AND NOVEL METAL EXTRACTANTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-12-30 — — EP disclosed
US-4581220-A CURED RESIDUE OF ZIRCONIUM SOLUTION IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1986-04-08 — — US disclosed
US-4576815-A Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1986-03-18 — — US disclosed
EP-0112617-A1 Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-07-04 — — EP disclosed
US-4336389-A 2-Substituted-4-aryl-5-thiazolecarboxylic acids and their derivatives as safening agents MONSANTO COMPANY (US) 1982-06-22 — — US 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 (6 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-20190352308-A1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATIONS KCNA3, KCNN3, KCNH3 ERCC5 4479/4885FEN1 4796/4885POLB 4798/4885
US-20040009975-A1 Novel pyrimidinedione derivatives TYMS, DPYD, TYMP ERCC5 852/4885FEN1 1157/4885POLB 204/4885
US-20200339592-A1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION KCNA3, KCNN3, KCNK3 ERCC5 4661/4885FEN1 4853/4885POLB 4471/4885
US-10723743-B2 Kv1.3 inhibitors and their medical application KCNA3, KCNN3, KCNK3 ERCC5 4661/4885FEN1 4853/4885POLB 4471/4885
US-10822345-B2 KV1.3 inhibitors and their medical application KCNA3, KCNN3, KCNK3 ERCC5 4661/4885FEN1 4853/4885POLB 4471/4885
US-20200377514-A1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION KCNN3, KCNN2, KCNA3 ERCC5 4193/4885FEN1 4692/4885POLB 4293/4885

“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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