SCHEMBL6718159

SCHEMBL6718159

CC1=C2CSC(C(=O)OCc3ccc(F)cc3)=CC2C(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR7 P34969 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ENPP2 Q13822 1/20 0.35
PKM P14618 1/20 0.35
DHODH Q02127 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6678893 0.84 GPBAR1 (0.39) GPBAR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6682018 0.82 KMT2A (0.39) GPBAR1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6716879 0.71 CNR2 (0.43) KMT2AALDH1A1HTR7KDM4ESMN1; SMN2
SCHEMBL7005686 0.66 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17251633 0.63 TDP1 (0.49) GPBAR1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8133573 0.61 CASP3 (0.57) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL21659487 0.61 TDP1 (0.56) GPBAR1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL663552 0.61 KMT2A (0.76) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL21869796 0.60 P2RX7 (0.54) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL28650737 0.60 P2RX7 (0.54) MEN1KMT2AALDH1A1CYP2C9CYP2C19

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-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 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-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP11 GPBAR1 3055/4885MEN1 3416/4885KMT2A 3890/4885

“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.