SCHEMBL1209558

SCHEMBL1209558

Cc1nc(CNC(=O)OCC2CCc3c(sc(NC(=O)C=Cc4cccnc4)c3C#N)C2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.45
ALDH1A1 P00352 11/20 0.43
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
TGFBR1 P36897 1/20 0.39
MAPT P10636 6/20 0.38
POLB P06746 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HPGD P15428 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
MCL1 Q07820 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL12882726 1.00 PTPN5 (0.45) PTPN5ALDH1A1RAB9ANPC1ALOX15
SCHEMBL14292413 0.91 MAPT (0.38) PTPN5ALDH1A1RAB9AMAPTPOLB
SCHEMBL1207616 0.90 PTPN5 (0.44) PTPN5ALDH1A1RAB9ANPC1ALOX15
SCHEMBL12882728 0.90 PTPN5 (0.44) PTPN5ALDH1A1RAB9ANPC1ALOX15
SCHEMBL1208352 0.90 ALDH1A1 (0.47) PTPN5ALDH1A1RAB9ANPC1ALOX15
SCHEMBL12895428 0.90 ALDH1A1 (0.47) PTPN5ALDH1A1RAB9ANPC1ALOX15
SCHEMBL1219195 0.90 ALDH1A1 (0.47) PTPN5ALDH1A1RAB9ANPC1ALOX15
SCHEMBL12883785 0.90 ALDH1A1 (0.47) PTPN5ALDH1A1RAB9ANPC1ALOX15
Hydrochloric Acid SCHEMBL1208904 0.89 ALDH1A1 (0.46) PTPN5ALDH1A1RAB9ANPC1ALOX15
SCHEMBL1207620 0.89 PTPN5 (0.46) PTPN5ALDH1A1RAB9ANPC1ALOX15

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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD PTPN5 1174/4885ALDH1A1 316/4885RAB9A 2531/4885

“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.