SCHEMBL4986631

SCHEMBL4986631

CCOC(=O)NC(=S)NCCC[C@H](NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.38
▸ SIRT2 Q8IXJ6 8/20 0.38
▸ SIRT1 Q96EB6 5/20 0.38
▸ C3AR1 Q16581 2/20 0.37
▸ SIRT3 Q9NTG7 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX12 P18054 1/20 0.33

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
SCHEMBL4994313 0.95 C3AR1 (0.34) FOLH1SIRT2SIRT1C3AR1ALDH1A1
SCHEMBL14090913 0.91 NPSR1 (0.41) ALDH1A1KDM4EPOLB
SCHEMBL4430961 0.90 C3AR1 (0.37) FOLH1SIRT2SIRT1C3AR1ALDH1A1
SCHEMBL14090894 0.89 ALDH1A1 (0.35) SIRT2SIRT1SIRT3ALDH1A1KDM4E
SCHEMBL4988947 0.83 FOLH1 (0.44) FOLH1C3AR1BRD4
SCHEMBL14090796 0.83 C3AR1 (0.41) C3AR1ALDH1A1KDM4ENPY1R
SCHEMBL14115690 0.83 C3AR1 (0.41) C3AR1ALDH1A1KDM4ENPY1R
SCHEMBL4428163 0.82 NPSR1 (0.44) C3AR1ALDH1A1KDM4EPOLB
SCHEMBL4992070 0.82 FOLH1 (0.52) FOLH1SIRT2SIRT1
SCHEMBL4989708 0.81 C3AR1 (0.41) FOLH1C3AR1ALDH1A1KDM4EBRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611008-A C3A receptor modulators and methods of use thereof ENCYSIVE PHARMACEUTICALS INC (US) 2009-12-23 — — CN disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 — — 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 (1 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 FOLH1 2725/4885SIRT2 4309/4885SIRT1 3524/4885

“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.

Send feedback