SCHEMBL5151950

SCHEMBL5151950

COc1ccccc1NC(=O)Nc1ccc(CC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
THRB P10828 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
LMNA P02545 1/20 0.47
GFER P55789 1/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 3/20 0.46
LPAR1 Q92633 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL5153634 0.92 MAPT (0.51) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL6037562 0.91 ITGA4 (0.56) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL5155477 0.85 ITGA4 (0.47) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5152015 0.85 ITGA4 (0.47) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5155365 0.85 RAB9A (0.57) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL5151870 0.85 CXCR2 (0.46) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5157330 0.85 MAPT (0.56) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL5152596 0.83 LPAR1 (0.47) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL5155096 0.83 POLB (0.55) MAPTMEN1KMT2AGAANPC1
SCHEMBL5281947 0.83 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2ANPC1

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 MAPT 3229/4885SMN1; SMN2 4151/4885MEN1 2953/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MAPT 3296/4885SMN1; SMN2 4245/4885MEN1 3283/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MAPT 3414/4885SMN1; SMN2 4213/4885MEN1 3022/4885

“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.