SCHEMBL5151619

SCHEMBL5151619

COc1ccccc1NC(=O)Nc1ccc(CC(=O)O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ ITGB1 P05556 1/20 0.56
▸ ITGA4 P13612 1/20 0.56
▸ NPC1 O15118 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ THRB P10828 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ GAA P10253 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ POLB P06746 2/20 0.55
▸ HPGD P15428 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ LMNA P02545 1/20 0.54

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
SCHEMBL4683165 0.91 ITGA4 (0.67) MAPTSMN1; SMN2MEN1KMT2AITGB1
SCHEMBL5157330 0.91 MAPT (0.56) MAPTSMN1; SMN2MEN1KMT2AITGB1
SCHEMBL5156820 0.91 ITGB1 (0.58) MAPTSMN1; SMN2MEN1KMT2AITGB1
SCHEMBL5152592 0.90 BRD4 (0.57) MEN1KMT2AITGB1ITGA4NPC1
SCHEMBL5152156 0.90 KMT2A (0.56) MAPTSMN1; SMN2MEN1KMT2AITGB1
SCHEMBL5152186 0.90 ALDH1A1 (0.56) MAPTSMN1; SMN2MEN1KMT2AITGB1
SCHEMBL5155303 0.90 ITGA4 (0.55) MEN1KMT2AITGB1ITGA4NPC1
SCHEMBL5150328 0.90 ITGB1 (0.52) MAPTSMN1; SMN2MEN1KMT2AITGB1
SCHEMBL5150333 0.87 ITGA4 (0.57) SMN1; SMN2MEN1KMT2AITGB1ITGA4
SCHEMBL5155118 0.86 RAB9A (0.69) 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.

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