SCHEMBL4086539

SCHEMBL4086539

CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)c2sc(-c3ccc(C(C)(C)C)cc3)cc2n1Cc1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.62
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SERPINE1 P05121 2/20 0.39
CCR9 P51686 2/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 3/20 0.39
KDR P35968 1/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL4092414 0.88 PTGES (0.72) PTGESSERPINE1CCR9MAPTALDH1A1
SCHEMBL4092264 0.88 PTGES (0.81) PTGESTP53SMN1; SMN2KMT2AMEN1
SCHEMBL4093589 0.76 PTGES (1.00) PTGESSERPINE1
SCHEMBL4086709 0.76 PTGES (0.47) PTGESTP53SMN1; SMN2KMT2AMEN1
SCHEMBL15497056 0.75 PTGES (0.48) PTGESTP53SMN1; SMN2KMT2AMEN1
SCHEMBL2806962 0.75 CYP19A1 (0.46) TP53SERPINE1CYP19A1
SCHEMBL13168309 0.74 SERPINE1 (0.49) TP53SMN1; SMN2KMT2ASERPINE1PLA2G2A
SCHEMBL4887373 0.73 SERPINE1 (0.55) TP53KMT2ALMNASERPINE1MAPT
SCHEMBL4098784 0.73 TP53 (0.46) PTGESTP53SMN1; SMN2KMT2AMEN1
SCHEMBL2808118 0.72 SERPINE1 (0.49) SERPINE1PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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 (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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES PTGES 3/4885TP53 1258/4885SMN1; SMN2 2913/4885

“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.