SCHEMBL6773913

SCHEMBL6773913

O=C(c1cccc2c1OCO2)N(Cc1ccccc1-c1ccccc1)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTB4R2 Q9NPC1 2/20 0.41
▸ MAPKAPK2 P49137 4/20 0.39
▸ ROCK2 O75116 3/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PDK1 Q15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ BCL2 P10415 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ RIPK3 Q9Y572 1/20 0.35
▸ EED O75530 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ MT-CO2 P00403 1/20 0.34

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
SCHEMBL6778658 0.82 OXTR (0.46) MAPKAPK2EED
SCHEMBL6785514 0.79 LTB4R2 (0.46) LTB4R2MAPKAPK2PDK1ALDH1A1
SCHEMBL7673590 0.79 ALDH1A1 (0.46) ALDH1A1
SCHEMBL6775891 0.77 PDK1 (0.47) LTB4R2CYP2D6CYP2C9PDK1ALDH1A1
SCHEMBL6775116 0.77 MAPKAPK2 (0.41) LTB4R2MAPKAPK2ROCK2PDK1
SCHEMBL6774316 0.76 ALDH1A1 (0.51) LTB4R2MAPKAPK2PDK1ALDH1A1
SCHEMBL6778429 0.75 MAPT (0.50) LTB4R2PDK1ALDH1A1
SCHEMBL6783999 0.75 PTGER1 (0.47) LTB4R2PDK1
SCHEMBL6775113 0.74 MAPKAPK2 (0.41) LTB4R2MAPKAPK2ROCK2PDK1
SCHEMBL4764550 0.72 LTB4R2 (0.47) LTB4R2PDK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 — — US claimed
US-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 — — US disclosed
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 — — 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-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein CETP, MTTP, LCAT LTB4R2 1613/4885MAPKAPK2 2572/4885ROCK2 4064/4885

“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.

Send feedback