SCHEMBL14090894

SCHEMBL14090894

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ SIRT3 Q9NTG7 1/20 0.34
▸ POLB P06746 3/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP26A1 O43174 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ PDPK1 O15530 1/20 0.32

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 0.94 C3AR1 (0.34) ALDH1A1SIRT2SIRT1POLBALOX12
SCHEMBL4986631 0.89 FOLH1 (0.38) ALDH1A1SIRT2SIRT1SIRT3POLB
SCHEMBL14090913 0.87 NPSR1 (0.41) ALDH1A1POLBKDM4EKMT2A
SCHEMBL14090891 0.83 KMT2A (0.36) ALDH1A1POLBKDM4EKMT2ACYP26A1
SCHEMBL14090935 0.82 NPSR1 (0.42) ALDH1A1POLBKDM4EKMT2A
SCHEMBL14090892 0.82 CNR2 (0.41) ALDH1A1KDM4EKMT2ACYP26A1
SCHEMBL14115722 0.81 CNR2 (0.35) ALDH1A1POLBKDM4EKMT2ACYP26A1
SCHEMBL27772093 0.81 TAS1R3 (0.43) —
SCHEMBL4430961 0.79 C3AR1 (0.37) ALDH1A1SIRT2SIRT1MMP8KDM4E
SCHEMBL14090933 0.78 CNR2 (0.46) ALDH1A1KDM4EKMT2A

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
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 — — US 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 ALDH1A1 1639/4885LMNA 809/4885GLA 1934/4885

“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.

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