SCHEMBL1590167

SCHEMBL1590167

Cc1c(C(N=S(=O)=O)c2cccc(N)c2F)c(=O)oc2cc(OC(=O)N(C)C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.49
BRAF P15056 2/20 0.47
RAF1 P04049 10/20 0.47
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1591293 0.79 MAP2K1 (0.48) MAP2K1BRAFRAF1CYP3A4CYP2C9
SCHEMBL29843015 0.75 MAP2K1 (0.74) MAP2K1BRAFRAF1CYP3A4CYP2C9
SCHEMBL960364 0.75 MAP2K1 (0.74) MAP2K1BRAFRAF1CYP3A4CYP2C9
SCHEMBL959595 0.72 MAP2K1 (0.55) MAP2K1BRAFRAF1CYP3A4CYP2C9
SCHEMBL959224 0.69 MAP2K1 (0.54) MAP2K1BRAFRAF1CYP3A4CYP2C9
SCHEMBL958935 0.69 MAP2K1 (0.62) MAP2K1BRAFRAF1CYP3A4CYP2C9
SCHEMBL26237957 0.68 MAP2K1 (0.60) MAP2K1BRAFRAF1CYP3A4CYP2C9
SCHEMBL958976 0.68 MAP2K1 (0.57) MAP2K1BRAFRAF1CYP3A4CYP2C9
SCHEMBL3123405 0.68 MAP2K1 (0.67) MAP2K1BRAFRAF1CYP3A4CYP2C9
SCHEMBL23743850 0.68 KDM4E (0.70) MAP2K1BRAFRAF1CYP3A4CYP2C9

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-8278465-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-02 US disclosed
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity IIKURA HITOSHI 2011-04-21 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-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 MAP2K1 3163/4885BRAF 509/4885RAF1 438/4885

“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.