SCHEMBL4939709

SCHEMBL4939709

COC(=O)c1nc2ccc(NC(=O)c3ccccc3-c3ccc(C(C)(C)C)cc3)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 3/20 0.45
MTTP P55157 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
GFER P55789 1/20 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
SCHEMBL4939889 0.90 SMN1; SMN2 (0.52) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4745162 0.87 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14027789 0.80 MTTP (0.59) MAPTTP53MTTP
SCHEMBL14027939 0.80 MTTP (0.59) MAPTTP53MTTP
SCHEMBL14027788 0.80 MTTP (0.60) PTGESMTTP
SCHEMBL14027895 0.79 MTTP (0.51) MAPTTP53MTTP
SCHEMBL5802528 0.79 TRPV1 (0.71) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14027790 0.78 MTTP (0.52) PTGESALOX5MTTPPPARGPPARA
SCHEMBL14027783 0.77 MTTP (0.61) PTGESALOX5MTTPPPARGPPARA
SCHEMBL4939695 0.77 SMN1; SMN2 (0.49) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 ALDH1A1 983/4885MAPT 2403/4885SMN1; SMN2 4591/4885

“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.