SCHEMBL8216741

SCHEMBL8216741

CN(C)CCCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.51
KDR P35968 2/20 0.46
LTA4H P09960 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
EPHX2 P34913 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
SCHEMBL8215808 0.97 HRH3 (0.55) HRH3KDRLTA4HSMN1; SMN2ALDH1A1
SCHEMBL8212505 0.87 HRH3 (0.56) HRH3KDRLTA4HSMN1; SMN2ALDH1A1
SCHEMBL8218300 0.84 HRH3 (0.54) HRH3KDRLTA4HSMN1; SMN2ALDH1A1
SCHEMBL16356942 0.80 HRH3 (0.60) HRH3KDRLTA4HSMN1; SMN2ALDH1A1
SCHEMBL8208530 0.80 HRH3 (0.60) HRH3KDRLTA4HSMN1; SMN2ALDH1A1
SCHEMBL8218365 0.80 RNF4 (0.57) LTA4HSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8216587 0.79 HRH3 (0.48) HRH3KDRLTA4HSMN1; SMN2ALDH1A1
SCHEMBL8216193 0.78 HRH3 (0.57) HRH3KDRLTA4HSMN1; SMN2ALDH1A1
SCHEMBL8208685 0.76 SPHK1 (0.46) SMN1; SMN2
SCHEMBL8418452 0.75 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2A

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 HRH3 2338/4885KDR 3380/4885LTA4H 140/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF HRH3 2524/4885KDR 2627/4885LTA4H 171/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI HRH3 2975/4885KDR 3437/4885LTA4H 131/4885

“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.