SCHEMBL5151907

SCHEMBL5151907

Cc1ccccc1-c1ccc(CC(=O)O)c(NC(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 7/20 0.48
▸ FFAR1 O14842 3/20 0.48
▸ PTGS2 P35354 3/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ MCL1 Q07820 1/20 0.45
▸ SLC1A3 P43003 1/20 0.43
▸ SLC1A2 P43004 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ FFAR4 Q5NUL3 2/20 0.40
▸ ICMT O60725 1/20 0.40
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39

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
SCHEMBL5151913 0.84 SUCNR1 (0.60) SUCNR1PTGS2NR1H4
SCHEMBL28792792 0.77 MCL1 (0.51) SUCNR1FFAR1PTGS2MCL1PTGS1
SCHEMBL29868080 0.76 SLC1A3 (0.44) FFAR1PTGS2HDAC1HDAC2MCL1
SCHEMBL5477918 0.76 PTGS2 (0.52) SUCNR1FFAR1PTGS2PTGS1NR1H4
SCHEMBL8658157 0.75 CFD (0.43) SUCNR1HDAC1HDAC2
SCHEMBL5270832 0.75 SUCNR1 (0.56) SUCNR1PTGS2PTGS1NR1H4
SCHEMBL31502385 0.74 MCL1 (0.48) SUCNR1FFAR1PTGS2MCL1SLC1A3
SCHEMBL9724473 0.73 CXCL8 (0.57) SUCNR1PTGS2PTGS1NR1H4
SCHEMBL11008600 0.73 CXCL8 (0.58) SUCNR1PTGS2PTGS1NR1H4
SCHEMBL11008421 0.73 CXCL8 (0.46) HDAC1

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 SUCNR1 3067/4885FFAR1 345/4885PTGS2 2062/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 SUCNR1 3452/4885FFAR1 411/4885PTGS2 2416/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 SUCNR1 3231/4885FFAR1 380/4885PTGS2 2117/4885

“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.

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