SCHEMBL5648002

SCHEMBL5648002

Cc1c(Cc2ccc(F)cc2)c(=O)oc2cc(OC(=O)N(C)c3ccccc3)ccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.79
BRAF P15056 1/20 0.79
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 5/20 0.62
KMT2A Q03164 3/20 0.62
GAA P10253 2/20 0.62
RAF1 P04049 6/20 0.56
MEN1 O00255 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.55
ALDH1A2 O94788 1/20 0.54
ALDH1B1 P30837 1/20 0.54
ALDH1A3 P47895 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
STS P08842 1/20 0.53
ACLY P53396 1/20 0.52
GLA P06280 1/20 0.52
HSD17B3 P37058 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL5647039 0.93 ALDH1A1 (0.71) MAP2K1BRAFALDH1A1KDM4EKMT2A
SCHEMBL5648889 0.87 MAP2K1 (0.60) MAP2K1BRAFALDH1A1KDM4EKMT2A
SCHEMBL2247578 0.84 MAP2K1 (0.81) MAP2K1BRAFALDH1A1KDM4EKMT2A
SCHEMBL5647066 0.84 MAP2K1 (0.58) MAP2K1BRAFALDH1A1KDM4EKMT2A
SCHEMBL5647929 0.84 MAP2K1 (0.56) MAP2K1BRAFALDH1A1KDM4EKMT2A
SCHEMBL5650933 0.78 KMT2A (0.62) MAP2K1BRAFALDH1A1KDM4EKMT2A
SCHEMBL972176 0.78 ALDH1A1 (0.78) MAP2K1BRAFALDH1A1KDM4EKMT2A
SCHEMBL7556311 0.77 KDM4E (0.61) MAP2K1BRAFALDH1A1KDM4EKMT2A
SCHEMBL5649020 0.77 MAP2K1 (0.68) MAP2K1BRAFALDH1A1KDM4EKMT2A
SCHEMBL29288172 0.76 BRAF (0.68) MAP2K1BRAFALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP claimed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US claimed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO claimed
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 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 (2 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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL MAP2K1 4496/4885BRAF 4260/4885ALDH1A1 1304/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL MAP2K1 4037/4885BRAF 4352/4885ALDH1A1 1599/4885

“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.