SCHEMBL5152977

SCHEMBL5152977

COC(=O)Cc1ccc(NC(=O)Nc2ccccc2Cl)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
CXCR2 P25025 2/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
FAAH O00519 1/20 0.47
KDM4E B2RXH2 1/20 0.45
CXCR1 P25024 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL5152329 0.90 CXCR2 (0.51) ITGA4KMT2AMEN1CXCR2MAPT
SCHEMBL5151663 0.90 KMT2A (0.52) ITGA4KMT2AMEN1CXCR2MAPT
SCHEMBL5155588 0.90 NPC1 (0.50) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL5151777 0.86 ITGA4 (0.50) ITGA4KMT2AMEN1MAPTNPC1
SCHEMBL5149945 0.86 MEN1 (0.52) ITGA4KMT2AMEN1CXCR2MAPT
SCHEMBL5150127 0.81 ITGB1 (0.49) ITGA4KMT2AMEN1MAPTNPC1
SCHEMBL5155326 0.80 MEN1 (0.50) KMT2AMEN1CXCR2MAPTNPC1
SCHEMBL5881062 0.78 MEN1 (0.52) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL3933692 0.77 ALDH1A1 (0.51) KMT2AMAPTNPC1RAB9ALMNA
SCHEMBL30154480 0.77 ALDH1A1 (0.51) KMT2AMAPTNPC1RAB9ALMNA

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 ITGA4 3/4885KMT2A 1046/4885MEN1 2953/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ITGA4 4/4885KMT2A 735/4885MEN1 3283/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ITGA4 5/4885KMT2A 918/4885MEN1 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.