SCHEMBL5155552

SCHEMBL5155552

COC(=O)c1ccc(OCCN(C)C(=O)OCc2ccccc2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.46
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 5/20 0.43
LMNA P02545 1/20 0.43
HDAC1 Q13547 1/20 0.42
KMT2A Q03164 1/20 0.41
LTB4R Q15722 2/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 1/20 0.41
MDM2 Q00987 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL3231604 0.82 MRGPRX4 (0.63) MRGPRX4ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL4842595 0.81 L3MBTL1 (0.56) MRGPRX4ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL10543265 0.76 S1PR4 (0.56) MRGPRX4ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL5637563 0.76 THRA (0.59) MRGPRX4ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL16584995 0.76 MRGPRX4 (0.58) MRGPRX4ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL206874 0.74 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTKDM4ERAB9A
SCHEMBL5151557 0.73 CA1 (0.56) ALDH1A1SMN1; SMN2MAPTKDM4ERAB9A
SCHEMBL13125206 0.73 MAPT (0.53) MRGPRX4ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL4827025 0.73 MAPT (0.50) MRGPRX4ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL401811 0.73 CSNK2A1 (0.51) MRGPRX4ALDH1A1SMN1; SMN2MAPTRAB9A

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 MRGPRX4 631/4885ALDH1A1 146/4885SMN1; SMN2 4151/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MRGPRX4 564/4885ALDH1A1 120/4885SMN1; SMN2 4245/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MRGPRX4 569/4885ALDH1A1 135/4885SMN1; SMN2 4213/4885

“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.