SCHEMBL4741397

SCHEMBL4741397

CC(C)(C)c1ccc(-c2ccccc2C(=O)Nc2nc(-c3cccc(C(=O)O)c3)cs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
RRM1 P23921 1/20 0.55
RRM2B Q7LG56 1/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SCD O00767 1/20 0.53
KDM4A O75164 1/20 0.53
KDM4B O94953 1/20 0.53
KDM5C P41229 1/20 0.53
KDM5B Q9UGL1 1/20 0.53
PHGDH O43175 1/20 0.52
NPC1 O15118 2/20 0.52
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PARP1 P09874 1/20 0.50
TP53 P04637 1/20 0.49
CSNK2A1 P68400 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL4844171 0.91 SCD (0.56) RAB9AMAPTMEN1KMT2ASCD
SCHEMBL4743698 0.90 MEN1 (0.51) RAB9ARRM1RRM2BMAPTMEN1
SCHEMBL14102317 0.88 MEN1 (0.49) RAB9ARRM1RRM2BMAPTMEN1
SCHEMBL14027877 0.88 MTTP (0.55) RAB9ARRM1RRM2BMAPTMEN1
SCHEMBL3942967 0.87 KDM4A (0.52) RAB9ARRM1RRM2BMAPTMEN1
SCHEMBL4855021 0.87 RAB9A (0.55) RAB9ARRM1RRM2BMAPTMEN1
SCHEMBL4938745 0.83 MTTP (0.58) MAPTMEN1KMT2A
SCHEMBL4938733 0.83 MTTP (0.58) MAPTMEN1KMT2A
SCHEMBL14027915 0.83 MTTP (0.50) RRM1RRM2BMAPTMEN1KMT2A
SCHEMBL14027798 0.81 MTTP (0.54) MAPTMEN1KMT2A

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 5 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
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 RAB9A 2515/4885RRM1 3457/4885RRM2B 2070/4885

“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.