SCHEMBL1003416

SCHEMBL1003416

C=CCOC(=O)CNC(=O)c1c(O)c2c([nH]c1=O)CSC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.38
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 6/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 4/20 0.35
TSHR P16473 3/20 0.35
NPC1 O15118 3/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.32
HIF1A Q16665 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL1055760 0.83 LMNA (0.45) PKMKDM4EALDH1A1POLBRAB9A
SCHEMBL1003821 0.80 PKM (0.36) PKMKDM4EALDH1A1POLBRAB9A
SCHEMBL1026907 0.65 LMNA (0.47) PKMKDM4EALDH1A1POLBRAB9A
SCHEMBL19227012 0.65 PKM (0.41) PKMKDM4EALDH1A1POLBRAB9A
SCHEMBL17640901 0.65 PKM (0.45) PKMKDM4EALDH1A1POLBRAB9A
SCHEMBL17629417 0.63 PKM (0.43) PKMKDM4EALDH1A1POLBRAB9A
SCHEMBL1061028 0.61 LMNA (0.42) PKMKDM4EALDH1A1POLBTSHR
SCHEMBL17629670 0.61 KDM4E (0.47) PKMKDM4EALDH1A1POLBRAB9A
SCHEMBL253364 0.60 TSHR (0.43) PKMKDM4EALDH1A1TSHRHPGD
SCHEMBL9632069 0.60 GLA (0.56) PKMALDH1A1RAB9AHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257169-B1 TETRAHYDROTHIENO PYRIDINES MERCK SHARP & DOHME (US) 2013-06-05 EP disclosed
US-8445680-B2 Tetrahydrothieno pyridines MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-20110009425-A1 TETRAHYDROTHIENO PYRIDINES MERCK SHARP & DOHME LLC 2011-01-13 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-20110009425-A1 TETRAHYDROTHIENO PYRIDINES HIF1AN, HIF1A, EGLN3 PKM 968/4885KDM4E 272/4885ALDH1A1 691/4885

“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.