SCHEMBL5154921

SCHEMBL5154921

Cc1ccccc1NC(=S)Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
LMNA P02545 3/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
FFAR1 O14842 1/20 0.60
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
ALOX12 P18054 2/20 0.53
EPHX1 P07099 2/20 0.52
CRHBP P24387 1/20 0.52
NPBWR1 P48145 1/20 0.52
CRHR2 Q13324 1/20 0.52
MCHR1 Q99705 1/20 0.52
ITGB1 P05556 4/20 0.52
ITGA4 P13612 4/20 0.52
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL29612679 0.86 ITGB1 (0.67) MEN1KMT2AFFAR1HPGDKDM4E
SCHEMBL3485567 0.86 ITGB1 (0.67) MEN1KMT2AFFAR1HPGDKDM4E
SCHEMBL7428442 0.84 LMNA (0.56) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL14558951 0.83 FFAR1 (0.60) MEN1KMT2AFFAR1HPGDSMN1; SMN2
SCHEMBL11598073 0.82 ALDH1A1 (0.75) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL7760696 0.82 ALDH1A1 (0.75) ALDH1A1LMNAMEN1KMT2AL3MBTL1
Phenylacetic Acid SCHEMBL5852247 0.78 HPGD (0.69) ALDH1A1MEN1KMT2AFFAR1HPGD
SCHEMBL23772886 0.78 FFAR1 (0.57) MEN1KMT2AFFAR1HPGDSMN1; SMN2
SCHEMBL29522293 0.76 L3MBTL1 (0.70) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL1276741 0.76 L3MBTL1 (0.70) ALDH1A1LMNAMEN1KMT2AL3MBTL1

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 12 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-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
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
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 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 ALDH1A1 146/4885LMNA 2308/4885MEN1 2953/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ALDH1A1 120/4885LMNA 2312/4885MEN1 3283/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ALDH1A1 135/4885LMNA 2327/4885MEN1 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.