SCHEMBL6780285

SCHEMBL6780285

COc1cccc(N(Cc2ccccc2-c2ccccc2)C(=O)c2ccccc2SC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ PTGES O14684 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ LPAR1 Q92633 2/20 0.40
▸ HSD17B2 P37059 2/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ GHSR Q92847 1/20 0.39
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6780300 0.89 LTB4R2 (0.46) GAAPTGESALOX5LPAR1LMNA
SCHEMBL6779164 0.89 KMT2A (0.45) KDM4EGAAPTGESALOX5LPAR1
SCHEMBL6780992 0.89 TSHR (0.45) LPAR1TAS1R3TAS1R1LMNALTB4R2
SCHEMBL6779112 0.87 PTGES (0.45) KDM4EGAAPTGESALOX5LPAR1
SCHEMBL6781090 0.86 MTNR1A (0.41) KDM4EGAAPTGESALOX5LPAR1
SCHEMBL6784549 0.78 LTB4R2 (0.48) GAAPTGESALOX5LPAR1LMNA
SCHEMBL6774704 0.78 TSHR (0.47) LPAR1RAB9ATAS1R3TAS1R1LMNA
SCHEMBL6784314 0.76 HIF1A (0.46) KDM4EPTGESALOX5LPAR1L3MBTL1
SCHEMBL6778194 0.75 TSHR (0.44) KDM4ELPAR1TAS1R3TAS1R1LMNA
SCHEMBL6781046 0.73 MEN1 (0.49) GAAPTGESALOX5NPC1RAB9A

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 KDM4E 1758/4885GAA 596/4885PTGES 902/4885

“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