SCHEMBL3049690

SCHEMBL3049690

COc1ccc(-c2c(-c3ccccc3)sc3ncnc(O[C@H](C)CCCCC(=O)O)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.43
LTB4R Q15722 3/20 0.42
BCL2 P10415 2/20 0.40
BCL2L1 Q07817 1/20 0.40
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
MKNK2 Q9HBH9 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
FAAH O00519 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL13087914 0.90 MCL1 (0.40) MCL1LTB4RBCL2BCL2L1KIT
SCHEMBL3053722 0.90 MCL1 (0.46) MCL1BCL2BCL2L1MKNK2PTGDR2
SCHEMBL3053647 0.83 MCL1 (0.39) MCL1BCL2BCL2L1MKNK2HDAC1
SCHEMBL6750708 0.81 KDM4E (0.54) KDRTEKALDH1A1MAPTMEN1
SCHEMBL3638862 0.81 EGFR (0.49) LTB4RHDAC1
SCHEMBL3047783 0.81 EGFR (0.49) LTB4RHDAC1
SCHEMBL6750702 0.81 KDM4E (0.54) KDRTEKALDH1A1MAPTMEN1
SCHEMBL4530234 0.81 KDM4E (0.54) KDRTEKALDH1A1MAPTMEN1
SCHEMBL13087479 0.80 MCL1 (0.42) MCL1BCL2BCL2L1MKNK2
SCHEMBL4519965 0.80 KDM4E (0.53) KDRTEKALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
US-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE LAMPE THOMAS 2010-10-14 US disclosed
EP-2167482-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Schering Pharma AG (DE) 2010-03-31 EP disclosed
WO-2008155017-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 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 (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-20100261736-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE HMGCR, PCSK9, FABP3 MCL1 2397/4885LTB4R 1133/4885BCL2 475/4885

“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.