SCHEMBL7041709

SCHEMBL7041709

COC(=O)c1cc(-c2ccsc2)ccc1NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
ALOX12 P18054 1/20 0.52
PTPN1 P18031 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
DHODH Q02127 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
HDAC1 Q13547 1/20 0.45
NR4A2 P43354 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
F10 P00742 1/20 0.44

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
SCHEMBL7035247 0.88 DHODH (0.51) KDM4EPTPN1NR1H4SIRT2NPC1
SCHEMBL7038969 0.87 DHODH (0.50) KDM4EPTPN1NR1H4SIRT2NPC1
Lithium Ion SCHEMBL7038967 0.86 PPARG (0.60) NR1H4SIRT2NPC1RAB9ADHODH
SCHEMBL19554242 0.81 KDM4E (0.61) PLAUKDM4EALDH1A1ALOX12NR1H4
SCHEMBL7033003 0.80 PLAU (0.59) PLAUKDM4EALDH1A1ALOX12NR1H4
SCHEMBL7038894 0.80 PLAU (0.56) PLAUKDM4EALDH1A1ALOX12NR1H4
SCHEMBL21446855 0.79 KDM4E (0.77) KDM4EALDH1A1ALOX12NR1H4TSHR
SCHEMBL7039996 0.78 DEGS1 (0.62) PLAUKDM4EPTPN1NR1H4NPC1
SCHEMBL19554308 0.76 KDM4E (0.56) PLAUKDM4EALDH1A1ALOX12NR1H4
SCHEMBL7036249 0.75 PPARG (0.75) KDM4EALDH1A1NPC1RAB9AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 US disclosed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 WO 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-20030073862-A1 Compounds PPARG, PPARA, PPARD PLAU 3230/4885KDM4E 2125/4885ALDH1A1 383/4885

“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.