SCHEMBL6250463

SCHEMBL6250463

Cc1ccc(-c2csc(-n3ncc(C(=O)NCCc4ccccc4)c3C)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.56
ICAM1 P05362 1/20 0.56
ITGAL P20701 1/20 0.56
ITGB3 P05106 5/20 0.55
ITGA2B P08514 5/20 0.55
SPR P35270 1/20 0.51
IDO1 P14902 1/20 0.51
HPGD P15428 5/20 0.49
KDM4E B2RXH2 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL6255206 0.80 RAB9A (0.58) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL6336597 0.77 RAB9A (0.56) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL6329800 0.77 KDM4E (0.57) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL14196468 0.77 RAB9A (0.60) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL12875465 0.77 RAB9A (0.63) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL2857896 0.77 HPGD (0.77) SPRHPGDKDM4ENPC1RAB9A
SCHEMBL14196471 0.76 RAB9A (0.61) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL14196467 0.73 ITGB2 (0.81) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL6255491 0.72 KDM4E (0.59) ITGB2ICAM1ITGALITGB3ITGA2B
SCHEMBL12875471 0.72 RAB9A (0.72) ITGB2ICAM1ITGALHPGDKDM4E

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-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US claimed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP claimed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US claimed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 WO claimed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
US-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US 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 (1 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 ITGB2 2990/4885ICAM1 911/4885ITGAL 2949/4885

“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.