SCHEMBL2744299

SCHEMBL2744299

CC(C)(O)c1ccc(C(=O)Nc2nc3ccc(N4CCN(S(C)(=O)=O)CC4)nc3s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
MAP3K5 Q99683 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 2/20 0.40
LRRK2 Q5S007 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
TYR P14679 1/20 0.39

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
SCHEMBL2743488 0.88 SMN1; SMN2 (0.48) MAPTMAP3K5RAB9ASMN1; SMN2TP53
SCHEMBL2743905 0.88 MAP3K5 (0.45) RXFP1MAPTMEN1KMT2AMAP3K5
SCHEMBL2743490 0.87 SCD (0.45) RXFP1MAPTMEN1KMT2AALDH1A1
SCHEMBL2743373 0.87 MAPT (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL2743511 0.85 LRRK2 (0.55) MAPTKDM4EALDH1A1HPGDMAP3K5
SCHEMBL2743588 0.85 HDAC3 (0.44) MEN1KMT2AKDM4EMAP3K5NPC1
SCHEMBL2743593 0.85 MAP3K5 (0.42) RXFP1MEN1KMT2AKDM4EMAP3K5
SCHEMBL2743929 0.85 MAP3K5 (0.42) RXFP1MAPTMEN1KMT2AKDM4E
SCHEMBL2743578 0.82 PTGER4 (0.43) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL2743728 0.82 MAP3K5 (0.41) RXFP1KDM4EALDH1A1HPGDMAP3K5

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 RXFP1 2814/4885MAPT 1024/4885MEN1 3266/4885

“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.