SCHEMBL5152104

SCHEMBL5152104

COc1cc(CC(=O)O)ccc1NC(=O)Nc1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.52
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ITGA4 P13612 3/20 0.47
ITGB1 P05556 2/20 0.47
PYGL P06737 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
EGFR P00533 1/20 0.46
FGFR1 P11362 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL5152186 0.89 ALDH1A1 (0.56) LPAR1GAAALDH1A1TSHRNFKB1
SCHEMBL5153172 0.85 LPAR1 (0.47) LPAR1ALDH1A1TSHRITGA4ITGB1
SCHEMBL5156903 0.84 PYGL (0.52) LPAR1GAAALDH1A1TSHRNFKB1
SCHEMBL5153101 0.84 NR1H4 (0.51) PYGLPTGS2
SCHEMBL5151619 0.84 MAPT (0.57) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL5156820 0.83 ITGB1 (0.58) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL4683165 0.81 ITGA4 (0.67) LPAR1GAAALDH1A1TSHRNFKB1
SCHEMBL5152156 0.80 KMT2A (0.56) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL5155303 0.80 ITGA4 (0.55) LPAR1GAAALDH1A1TSHRNFKB1
SCHEMBL5150328 0.80 ITGB1 (0.52) LPAR1GAAALDH1A1TSHRNFKB1

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 LPAR1 125/4885GAA 1709/4885ALDH1A1 146/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 LPAR1 123/4885GAA 1575/4885ALDH1A1 120/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 LPAR1 134/4885GAA 1727/4885ALDH1A1 135/4885

“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.