SCHEMBL8215522

SCHEMBL8215522

CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.52
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
TGM2 P21980 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL8207992 0.86 KIF11 (0.58) KIF11EPHX2ALDH1A1PSEN1PSEN2
SCHEMBL8208199 0.83 TAAR1 (0.56) ALDH1A1KDM4ERAB9AMEN1HTT
SCHEMBL8215633 0.76 KIF11 (0.50) KIF11EPHX2MEN1KMT2AMAPT
SCHEMBL8216195 0.76 SLC1A3 (0.48) ALDH1A1RAB9AMAPTNPC1LMNA
SCHEMBL8215666 0.74 KIF11 (0.48) KIF11EPHX2PSEN1PSEN2APH1B
SCHEMBL14494246 0.74 KIF11 (0.48) KIF11EPHX2PSEN1PSEN2APH1B
SCHEMBL8212408 0.73 ROCK1 (0.40) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL11510708 0.73 MLYCD (0.65) KIF11EPHX2ALDH1A1TRPV1RAB9A
SCHEMBL134581 0.73 TP53 (0.66) KIF11EPHX2TRPV1TRPV4MTOR
SCHEMBL8208217 0.72 SPHK1 (0.47) RAB9ANPC1

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
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
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 KIF11 2611/4885EPHX2 727/4885ALDH1A1 1502/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF KIF11 3053/4885EPHX2 519/4885ALDH1A1 1369/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI KIF11 2932/4885EPHX2 585/4885ALDH1A1 1607/4885

“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.