SCHEMBL1198610

SCHEMBL1198610

CC(=O)c1ccc(-c2csc(Cn3cc(C(=O)O)cn3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
KDM4E B2RXH2 5/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 6/20 0.43
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALOX5 P09917 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CHEK1 O14757 1/20 0.39
EIF4E P06730 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL12876399 0.89 RAB9A (0.53) RAB9AKDM4EPOLBGAAHTT
SCHEMBL1198915 0.89 RAB9A (0.51) RAB9AKDM4EPOLBGAAHTT
SCHEMBL1198883 0.89 EIF4E (0.46) RAB9AKDM4EPOLBHTTALDH1A1
SCHEMBL27806579 0.88 KDM4E (0.50) RAB9AKDM4EPOLBGAAHTT
SCHEMBL1199316 0.87 RAB9A (0.53) RAB9AKDM4EPOLBGAAHTT
SCHEMBL1198867 0.87 RAB9A (0.47) RAB9AKDM4EPOLBGAAHTT
SCHEMBL12875743 0.87 KMT2A (0.48) RAB9AKDM4EPOLBGAAHTT
SCHEMBL1198568 0.86 MEN1 (0.56) RAB9AKDM4EPOLBALDH1A1L3MBTL1
SCHEMBL1198160 0.86 L3MBTL1 (0.42) RAB9AKDM4EGAAALDH1A1L3MBTL1
SCHEMBL12876294 0.86 RAB9A (0.36) RAB9AKDM4EPOLBGAAHTT

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
CN-102056907-A Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-05-11 CN disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 EP disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 EP 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A RAB9A 2507/4885KDM4E 1877/4885POLB 4137/4885

“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.