SCHEMBL2743728

SCHEMBL2743728

CC(C)(O)c1ccc(C(=O)Nc2nc3ccc(N4CCC(CO)CC4)nc3s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 3/20 0.41
LRRK2 Q5S007 6/20 0.39
TP53 P04637 1/20 0.39
PTGER4 P35408 1/20 0.38
TYR P14679 1/20 0.38
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PDE4B Q07343 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2743618 0.95 PTGER4 (0.45) MAP3K5LRRK2TP53PTGER4TYR
SCHEMBL2743593 0.90 MAP3K5 (0.42) MAP3K5LRRK2TP53PTGER4TYR
SCHEMBL2743905 0.87 MAP3K5 (0.45) MAP3K5LRRK2TP53TYRRXFP1
SCHEMBL2743578 0.87 PTGER4 (0.43) MAP3K5LRRK2PTGER4TYRLMNA
SCHEMBL2743588 0.87 HDAC3 (0.44) MAP3K5LRRK2TYRKDM4E
SCHEMBL2743490 0.86 SCD (0.45) MAP3K5LRRK2TP53TYRLMNA
SCHEMBL2743752 0.86 MAP3K5 (0.41) MAP3K5LRRK2TP53TYRLMNA
SCHEMBL2743755 0.86 MAP3K5 (0.41) MAP3K5LRRK2TP53TYRLMNA
SCHEMBL2743488 0.85 SMN1; SMN2 (0.48) MAP3K5LRRK2TP53TYR
SCHEMBL2743511 0.85 LRRK2 (0.55) MAP3K5LRRK2LMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US claimed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US claimed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2010008843-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 WO disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD MAP3K5 8/4885LRRK2 313/4885TP53 118/4885

“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.