SCHEMBL3097286

SCHEMBL3097286

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](N)Cc1ccc(-c2cccnc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.41
MMP12 P39900 2/20 0.41
PSMB5 P28074 1/20 0.40
ADAMTS4 O75173 1/20 0.38
PPARG P37231 1/20 0.38
ECE1 P42892 1/20 0.38
LMNA P02545 2/20 0.38
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
CYP2A6 P11509 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
TBXAS1 P24557 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL2434578 0.90 ROCK2 (0.39) GPR88MMP12HDAC8
SCHEMBL2441054 0.85 EPHX1 (0.41) GPR88
SCHEMBL2435860 0.85 PSMB5 (0.46) GPR88MMP12PSMB5ADAMTS4ECE1
SCHEMBL2434389 0.85 MMP12 (0.41) GPR88MMP12PSMB5ADAMTS4ECE1
SCHEMBL2435658 0.83 UGT1A1 (0.44) GPR88PPARG
SCHEMBL2435554 0.83 UGT1A1 (0.44) GPR88PPARG
SCHEMBL2440909 0.83 UGT1A1 (0.44) GPR88PPARG
SCHEMBL2436008 0.82 CYP3A4 (0.51) MMP12ECE1
SCHEMBL2436076 0.81 UGT1A1 (0.34) GPR88
SCHEMBL2433624 0.80 MKNK1 (0.49) GPR88MMP12ECE1LMNAMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
EP-1697344-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 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 (2 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 GPR88 4708/4885MMP12 611/4885PSMB5 2710/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP GPR88 4253/4885MMP12 130/4885PSMB5 585/4885

“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.