SCHEMBL12900089

SCHEMBL12900089

Cc1cc(C(=O)Nc2ccccc2C(=O)O)sc1-c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.50
▸ FABP4 P15090 1/20 0.50
▸ FABP5 Q01469 1/20 0.50
▸ NPC1 O15118 6/20 0.49
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TP53 P04637 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ RAB9A P51151 5/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HPGD P15428 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45

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
SCHEMBL12900093 0.94 NPC1 (0.49) FABP3FABP4FABP5NPC1MAPT
SCHEMBL12900103 0.82 FABP3 (0.53) FABP3FABP4FABP5NPC1MAPT
SCHEMBL12900092 0.80 MAPT (0.48) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL12900094 0.78 HCAR2 (0.51) NPC1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14566435 0.77 L3MBTL1 (0.46) NPC1MAPTMEN1KMT2ATP53
SCHEMBL12900100 0.76 HDAC6 (0.55) FABP3FABP4FABP5NPC1MAPT
SCHEMBL6475383 0.75 FABP4 (0.65) FABP3FABP4FABP5NPC1MAPT
SCHEMBL2274223 0.74 ALDH1A1 (0.53) FABP3FABP4FABP5NPC1MAPT
SCHEMBL12900109 0.74 ALDH1A1 (0.49) FABP3FABP4FABP5NPC1MAPT
SCHEMBL12900083 0.72 GFER (0.48) NPC1MAPTMEN1KMT2ATP53

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-20110028462-A1 Niacin Receptor Agonists, compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2011-02-03 — — US disclosed
US-20110028462-A1 Niacin Receptor Agonists, compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2011-02-03 — — US disclosed
WO-2007035478-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-03-29 — — 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-20110028462-A1 Niacin Receptor Agonists, compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 FABP3 136/4885FABP4 282/4885FABP5 519/4885

“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.

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