SCHEMBL5149671

SCHEMBL5149671

Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
HTT P42858 3/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ITGB1 P05556 11/20 0.52
ITGA4 P13612 11/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
DDX3X O00571 1/20 0.49
GHSR Q92847 1/20 0.46
HPGD P15428 1/20 0.46
KDM4C Q9H3R0 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
SCHEMBL5152208 0.83 ITGA4 (0.55) RAB9AHTTMAPTKMT2AMEN1
SCHEMBL8231040 0.79 ITGB1 (0.61) RAB9AHTTMAPTNPC1KMT2A
SCHEMBL29612679 0.79 ITGB1 (0.67) RAB9AHTTMAPTNPC1KMT2A
SCHEMBL3485567 0.79 ITGB1 (0.67) RAB9AHTTMAPTNPC1KMT2A
SCHEMBL20808405 0.78 ITGB1 (0.59) RAB9AHTTMAPTNPC1KMT2A
SCHEMBL7100059 0.78 RAB9A (0.61) RAB9AHTTMAPTNPC1KMT2A
SCHEMBL18472821 0.77 ITGB1 (0.58) RAB9AHTTMAPTNPC1KMT2A
SCHEMBL6026745 0.77 RAB9A (0.51) RAB9AHTTMAPTNPC1KMT2A
SCHEMBL7104543 0.76 RAB9A (0.62) RAB9AHTTMAPTNPC1KMT2A
SCHEMBL14561170 0.76 RAB9A (0.67) RAB9AHTTMAPTNPC1KMT2A

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 2282/4885HTT 4854/4885MAPT 3229/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 RAB9A 1984/4885HTT 4850/4885MAPT 3296/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 RAB9A 2225/4885HTT 4846/4885MAPT 3414/4885

“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.