SCHEMBL973064

SCHEMBL973064

Cc1c(Cc2ccccc2)c(=O)oc2cc(Oc3nccs3)ccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.72
RAF1 P04049 2/20 0.72
ALDH1A1 P00352 8/20 0.60
ALDH1A2 O94788 1/20 0.60
ALDH1B1 P30837 1/20 0.60
ALDH1A3 P47895 1/20 0.60
KDM4E B2RXH2 8/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 3/20 0.60
STS P08842 1/20 0.59
HPGD P15428 3/20 0.59
GAA P10253 2/20 0.58
USP2 O75604 1/20 0.57
POLB P06746 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ACLY P53396 1/20 0.55
GLA P06280 1/20 0.55
HSD17B3 P37058 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL959726 0.90 MAP2K1 (0.72) MAP2K1RAF1ALDH1A1ALDH1A2ALDH1B1
SCHEMBL963453 0.86 MAP2K1 (0.68) MAP2K1RAF1ALDH1A1ALDH1A2ALDH1B1
SCHEMBL961916 0.85 MAP2K1 (0.61) MAP2K1RAF1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL958789 0.84 MAP2K1 (1.00) MAP2K1RAF1
SCHEMBL958482 0.84 MAP2K1 (0.85) MAP2K1RAF1ALDH1A1ALDH1A2ALDH1B1
SCHEMBL970190 0.84 MAP2K1 (0.70) MAP2K1RAF1ALDH1A1ALDH1A2ALDH1B1
SCHEMBL958783 0.84 RAB9A (0.58) MAP2K1RAF1ALDH1A1KDM4ESTS
SCHEMBL962007 0.84 MAP2K1 (0.98) MAP2K1RAF1
SCHEMBL960796 0.84 MAP2K1 (0.98) MAP2K1RAF1
SCHEMBL962747 0.83 RAF1 (0.57) MAP2K1RAF1ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994318-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-08-09 US disclosed
US-7994318-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-08-09 US disclosed
US-7994318-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-08-09 US disclosed
US-7872142-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-18 US disclosed
US-7872142-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-18 US disclosed
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-05 US disclosed
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-05 US disclosed
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-05 US disclosed
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-08 US disclosed
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-08 US disclosed
US-7709664-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-7709664-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-7709664-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-7026491-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-04-11 US disclosed
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-01-26 US disclosed
US-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-20 US disclosed
WO-2002008217-A2 COUMARIN DERIVATIVES USEFUL AS TNFα INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-01-31 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 (4 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-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors TNF, NFKBIA, TNFRSF1A MAP2K1 3709/4885RAF1 623/4885ALDH1A1 1457/4885
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A MAP2K1 3808/4885RAF1 699/4885ALDH1A1 1402/4885
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A MAP2K1 3808/4885RAF1 699/4885ALDH1A1 1402/4885
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors TNF, NFKBIA, TNFRSF1A MAP2K1 3811/4885RAF1 1087/4885ALDH1A1 1823/4885

“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.