SCHEMBL16136222

SCHEMBL16136222

CCCCOc1ccc(C(=O)c2cccc(Cl)c2)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 4/20 0.55
▸ PLA2G4B P0C869 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ AKR1C2 P52895 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ NR1H4 Q96RI1 3/20 0.47
▸ PYGL P06737 1/20 0.47
▸ PYGM P11217 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ FAAH O00519 1/20 0.46
▸ THRB P10828 1/20 0.45

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
SCHEMBL11504437 0.84 KMT2A (0.56) PLA2G4BKMT2ATP53MAPTNR1H4
SCHEMBL29998681 0.84 PTPN11 (0.67) PTPN11PLA2G4BKMT2ATP53
SCHEMBL29091229 0.84 PTPN11 (0.67) PTPN11PLA2G4BKMT2ATP53
SCHEMBL16110081 0.83 NR4A2 (0.60) PYGLPYGM
SCHEMBL21543820 0.80 PTPN11 (0.62) PTPN11PLA2G4BTP53ALDH1A1
SCHEMBL9075097 0.78 KMT2A (0.58) PTPN11PLA2G4BKMT2ATP53MAPT
SCHEMBL8085899 0.77 PTPN11 (0.68) PTPN11PLA2G4BTP53
SCHEMBL16363711 0.76 POLB (0.60) KMT2ATP53ALDH1A1
SCHEMBL27968978 0.76 FAAH (0.57) PLA2G4BKMT2ATP53MAPTALDH1A1
SCHEMBL1750089 0.76 THRB (0.60) PTPN11PLA2G4BTP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783529-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2017-10-10 — — US disclosed
US-20150005300-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2015-01-01 — — US disclosed
WO-2014160440-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 — — 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 (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-20150005300-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, PNPO PTPN11 4385/4885PLA2G4B 2275/4885KMT2A 3934/4885

“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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