SCHEMBL7397144

SCHEMBL7397144

CCC(CC1CCCOC1)c1cc(O)c(C(c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)C2CC2)c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
FABP1 P07148 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 3/20 0.37
GAA P10253 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
HPGD P15428 2/20 0.37
BRD4 O60885 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TYMS P04818 1/20 0.36
KCNA5 P22460 1/20 0.36

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
SCHEMBL7406926 0.88 PDE4B (0.44) PDE4BALDH1A1LMNACYP1A2CYP3A4
SCHEMBL6174502 0.86 PDE4B (0.42) PDE4BALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7446449 0.85 PDE4B (0.42) PDE4BALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7400236 0.84 TRIM24 (0.39) LMNAMEN1KMT2AGAA
SCHEMBL7438915 0.82 GRM4 (0.30)
SCHEMBL7400178 0.81 KCNK3 (0.32)
SCHEMBL7477252 0.81 BRD4 (0.32) CYP3A4BRD4
SCHEMBL7397958 0.80 MLNR (0.32) LMNAGAATSHR
SCHEMBL7482086 0.80 GAA (0.35) PDE4BALDH1A1LMNACYP1A2CYP3A4
SCHEMBL6174251 0.78 CYP2C9 (0.38) CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246125-A1 PYRANONE COMPOUNDS USEFUL TO MODULATE OMA1 PROTEASE 712 NORTH INC. 2021-08-12 US claimed
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 US claimed
EP-0758327-A1 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-19 EP claimed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 WO claimed
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 US disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 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-20210246125-A1 PYRANONE COMPOUNDS USEFUL TO MODULATE OMA1 PROTEASE OPA1, OLA1, PITRM1 PDE4B 3113/4885ALDH1A1 476/4885LMNA 2373/4885

“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.