SCHEMBL4939889

SCHEMBL4939889

CC(C)(C)c1ccc(-c2ccccc2C(=O)Nc2ccc3nc(C(=O)O)sc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.52
TRPV1 Q8NER1 2/20 0.49
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
OPRL1 P41146 1/20 0.48
MTTP P55157 1/20 0.48
APEX1 P27695 1/20 0.48
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
MAPT P10636 4/20 0.46
PKM P14618 2/20 0.46
TP53 P04637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL4939709 0.90 ALDH1A1 (0.49) SMN1; SMN2NPC1RAB9AHTTTRPV1
SCHEMBL4939695 0.86 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTOPRL1
SCHEMBL14027939 0.83 MTTP (0.59) MTTPMAPTTP53
SCHEMBL14027789 0.83 MTTP (0.59) MTTPMAPTTP53
SCHEMBL14027788 0.83 MTTP (0.60) PTGESMTTP
SCHEMBL14027895 0.82 MTTP (0.51) MTTPMAPTTP53
SCHEMBL14027790 0.81 MTTP (0.52) PTGESALOX5MTTPPPARGPPARA
SCHEMBL14027783 0.80 MTTP (0.61) PTGESALOX5MTTPPPARGPPARA
SCHEMBL4850409 0.79 MEN1 (0.54) SMN1; SMN2NPC1RAB9ATRPV1MAPT
SCHEMBL14102313 0.79 MTTP (0.50) MTTPMAPTTP53

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 SMN1; SMN2 4591/4885NPC1 37/4885RAB9A 2515/4885

“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.