SCHEMBL8212418

SCHEMBL8212418

O=C(Nc1ccc(-c2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
FPR2 P25090 3/20 0.46
EPHX2 P34913 1/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46
ESR1 P03372 1/20 0.46
NR4A1 P22736 1/20 0.46
PTK2B Q14289 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
PTPN1 P18031 2/20 0.44
PTPN11 Q06124 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL8243196 0.86 TAAR1 (0.44) TAAR1HPGDMAPK1FPR2EPHX2
SCHEMBL8208836 0.85 MEN1 (0.52) HPGDMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8215633 0.85 KIF11 (0.50) HPGDFPR2EPHX2MAPTKMT2A
SCHEMBL8212593 0.85 SMN1; SMN2 (0.47) FPR2MAPTKMT2ANPSR1USP2
SCHEMBL14494432 0.83 MAPT (0.41) FPR2EPHX2MAPTKMT2ANPSR1
SCHEMBL8243200 0.83 MAPT (0.41) FPR2EPHX2MAPTKMT2ANPSR1
SCHEMBL8212684 0.79 ROCK1 (0.38) MAPTKMT2ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL8218401 0.77 MAPT (0.53) MAPK1MAPTKMT2ANPSR1USP2
SCHEMBL8216222 0.77 NPC1 (0.50) MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL8215800 0.77 TAAR1 (0.63) TAAR1HPGDMAPTKMT2ANPSR1

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 11 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-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-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
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
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US 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 TAAR1 2256/4885HPGD 711/4885MAPK1 2340/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF TAAR1 2593/4885HPGD 493/4885MAPK1 2191/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI TAAR1 2448/4885HPGD 766/4885MAPK1 2972/4885

“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.