SCHEMBL8212396

SCHEMBL8212396

CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.44
NLRP3 Q96P20 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
ADAM17 P78536 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
SCHEMBL8216582 0.88 PTPN11 (0.55) HTTMEN1KMT2ALMNANPSR1
SCHEMBL13792279 0.88 NPC1 (0.41) RAB9ASMN1; SMN2NPC1HTTMEN1
SCHEMBL8218621 0.88 NPC1 (0.41) RAB9ASMN1; SMN2NPC1HTTMEN1
SCHEMBL13792138 0.88 NPC1 (0.41) RAB9ASMN1; SMN2NPC1HTTMEN1
SCHEMBL8220589 0.88 NPC1 (0.41) RAB9ASMN1; SMN2NPC1HTTMEN1
SCHEMBL8235544 0.87 RAB9A (0.43) RAB9ASMN1; SMN2NPC1HTTMEN1
SCHEMBL8212481 0.85 RAB9A (0.54) RAB9ASMN1; SMN2NPC1HTTMEN1
SCHEMBL8208199 0.84 TAAR1 (0.56) RAB9ASMN1; SMN2NPC1HTTMEN1
SCHEMBL8212712 0.83 ALDH1A1 (0.50) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL8215563 0.81 NPY5R (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD

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-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
WO-2007064732-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 RAB9A 1661/4885SMN1; SMN2 2291/4885NPC1 481/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF RAB9A 2283/4885SMN1; SMN2 1570/4885NPC1 477/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI RAB9A 922/4885SMN1; SMN2 2646/4885NPC1 415/4885

“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.