SCHEMBL5153129

SCHEMBL5153129

CCOC(=O)Cc1ccc(NC(=O)Nc2ccccc2OC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
NPC1 O15118 5/20 0.63
THRB P10828 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.62
MAPT P10636 5/20 0.62
KMT2A Q03164 8/20 0.62
MEN1 O00255 7/20 0.62
LMNA P02545 3/20 0.62
TP53 P04637 2/20 0.60
ALOX15 P16050 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 3/20 0.58
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
PABPC1 P11940 1/20 0.53
POLB P06746 2/20 0.53
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL5155118 0.85 RAB9A (0.69) RAB9ANPC1THRBSMN1; SMN2MAPT
SCHEMBL11010010 0.84 RAB9A (0.72) RAB9ANPC1THRBSMN1; SMN2MAPT
SCHEMBL5153509 0.84 USP2 (0.61) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL5157218 0.84 NPC1 (0.59) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL14825275 0.82 MAPT (0.69) RAB9ANPC1THRBSMN1; SMN2MAPT
SCHEMBL5157390 0.81 ALDH1A1 (0.62) RAB9ANPC1THRBSMN1; SMN2MAPT
SCHEMBL4919590 0.80 MAPT (0.65) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL5852135 0.80 MAPT (0.78) RAB9ANPC1THRBSMN1; SMN2MAPT
SCHEMBL11006683 0.77 RAB9A (0.78) RAB9ANPC1THRBSMN1; SMN2MAPT
SCHEMBL4920477 0.77 MAPT (0.68) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 EP disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 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 (3 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 RAB9A 2282/4885NPC1 2939/4885THRB 2705/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 RAB9A 1984/4885NPC1 3300/4885THRB 2358/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 RAB9A 2225/4885NPC1 2981/4885THRB 2649/4885

“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.