SCHEMBL8215633

SCHEMBL8215633

O=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 9/20 0.46
MAPT P10636 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
NAMPT P43490 1/20 0.44
FPR1 P21462 2/20 0.43
FPR2 P25090 2/20 0.43
MTTP P55157 2/20 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
SCHEMBL8243200 0.90 MAPT (0.41) KIF11MEN1KMT2AEPHX2MAPT
SCHEMBL14494432 0.90 MAPT (0.41) KIF11MEN1KMT2AEPHX2MAPT
SCHEMBL8212418 0.85 TAAR1 (0.49) MEN1HPGDKMT2AEPHX2MAPT
SCHEMBL8207992 0.81 KIF11 (0.58) KIF11MEN1KMT2AEPHX2MAPT
SCHEMBL8215522 0.76 KIF11 (0.52) KIF11MEN1KMT2AEPHX2MAPT
SCHEMBL14306236 0.76 MAPT (0.69) MEN1KMT2AEPHX2MAPTCNR1
SCHEMBL8212684 0.76 ROCK1 (0.38) MEN1KMT2AMAPT
SCHEMBL6153200 0.75 KMT2A (0.69) MEN1HPGDTSHRKMT2AEPHX2
SCHEMBL8208836 0.74 MEN1 (0.52) MEN1HPGDKMT2AMAPT
SCHEMBL8212593 0.74 SMN1; SMN2 (0.47) MEN1KMT2AMAPTFPR2

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 2611/4885MEN1 1218/4885HPGD 711/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF KIF11 3053/4885MEN1 1618/4885HPGD 493/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI KIF11 2932/4885MEN1 1587/4885HPGD 766/4885

“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.