SCHEMBL4774522

SCHEMBL4774522

COC(=O)c1nc(Cl)ccc1NC(=O)OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 0.40
TUBB2A Q13885 3/20 0.40
TUBB8 Q3ZCM7 3/20 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
SCHEMBL4772581 0.84 HPGD (0.42) HPGDALOX15SMN1; SMN2NPC1CYP1A2
SCHEMBL14145729 0.84 HPGD (0.42) HPGDALOX15SMN1; SMN2NPC1CYP1A2
SCHEMBL14145705 0.80 HPGD (0.41) HPGDALOX15SMN1; SMN2NPC1CYP1A2
SCHEMBL4770748 0.79 HPGD (0.40) HPGDALOX15SMN1; SMN2NPC1CYP1A2
SCHEMBL19384203 0.76 XPO1 (0.46) HPGDALOX15SMN1; SMN2NPC1CYP1A2
SCHEMBL29293876 0.74 HPGD (0.54) HPGDALOX15SMN1; SMN2NPC1CYP1A2
SCHEMBL25301183 0.74 NPSR1 (0.35) HPGDSMN1; SMN2NPC1CYP1A2CYP2C19
SCHEMBL240027 0.73 ALDH1A1 (0.51) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29679379 0.73 ALDH1A1 (0.51) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25307810 0.72 TUBB4A (0.47) SMN1; SMN2NPC1RAB9AALDH1A1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732933-B1 COMPOUNDS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2008-07-23 EP disclosed
EP-1732933-B1 COMPOUNDS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2008-07-23 EP disclosed
US-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY 2007-09-06 US disclosed
US-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY 2007-09-06 US disclosed
US-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY 2007-09-06 US disclosed
EP-1732933-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-12-20 EP disclosed
WO-2005097805-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-10-20 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-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA PCSK9, LIPC, APOB HPGD 1930/4885ALOX15 440/4885SMN1; SMN2 4835/4885

“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.