SCHEMBL4909700

SCHEMBL4909700

CCOC(=O)c1cc2c(-c3ccc(Cl)c(Cl)c3)nc(SC)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD2 Q15562 1/20 0.41
DHODH Q02127 1/20 0.41
HSP90AB1 P08238 1/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
ALOX5 P09917 3/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PKM P14618 2/20 0.38
PTGES O14684 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL4906890 0.90 HSP90AB1 (0.51) DHODHHSP90AB1MAPTALDH1A1HPGD
SCHEMBL4907235 0.85 HSP90AB1 (0.56) TEAD2DHODHHSP90AB1ALOX5PKM
SCHEMBL4909743 0.83 TEAD2 (0.43) TEAD2DHODHHSP90AB1MAPTALDH1A1
SCHEMBL4907754 0.81 MAPT (0.43) MAPTALDH1A1HPGDPKMTDP1
SCHEMBL4907427 0.79 BRAF (0.55) MAPTALDH1A1HPGDLMNATSHR
SCHEMBL4906524 0.76 KDM4E (0.36) MAPTALDH1A1HPGDPKMLMNA
SCHEMBL13109969 0.74 HSP90AB1 (0.70) DHODHHSP90AB1MAPTALDH1A1TRPM8
SCHEMBL4213556 0.73 HPGD (0.43) HSP90AB1MAPTALDH1A1HPGDTDP1
SCHEMBL4513057 0.73 SMN1; SMN2 (0.44) DHODHALDH1A1HPGDALOX5GABRA2
SCHEMBL13109530 0.72 HSP90AB1 (0.55) HSP90AB1MAPTALDH1A1HPGDALOX5

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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF TEAD2 902/4885DHODH 2281/4885HSP90AB1 1347/4885

“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.