SCHEMBL6250477

SCHEMBL6250477

Cc1ccc(-c2csc(-n3ncc(C(=O)NC4CC4)c3C(C)C)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.55
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SPR P35270 2/20 0.48
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK14 Q16539 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6249299 0.84 PTGER4 (0.75) PTGER4KDM4EHPGDL3MBTL1ITGB3
SCHEMBL6336597 0.80 RAB9A (0.56) PTGER4KDM4EHPGDL3MBTL1SPR
SCHEMBL6255206 0.72 RAB9A (0.58) PTGER4KDM4EHPGDL3MBTL1ITGB3
SCHEMBL6329800 0.71 KDM4E (0.57) PTGER4KDM4EHPGDL3MBTL1ITGB3
SCHEMBL6334020 0.71 KDM4E (0.52) PTGER4KDM4EHPGDL3MBTL1ITGB3
SCHEMBL6255491 0.69 KDM4E (0.59) PTGER4KDM4EHPGDL3MBTL1ITGB3
SCHEMBL6250463 0.69 ITGB2 (0.56) KDM4EHPGDL3MBTL1SPRITGB3
SCHEMBL6331924 0.68 KDM4E (0.58) PTGER4KDM4EHPGDL3MBTL1ITGB3
SCHEMBL14196468 0.65 RAB9A (0.60) PTGER4KDM4EHPGDL3MBTL1ITGB3
SCHEMBL18702165 0.65 SPR (1.00) KDM4ESPRALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 EP claimed
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
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 WO 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
US-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
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 disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
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 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 PTGER4 3991/4885KDM4E 4506/4885HPGD 1166/4885

“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.