SCHEMBL4019714

SCHEMBL4019714

COC(=O)NCC(=O)N1C[C@H](C(=O)c2cccc(O)c2)[C@@H](c2cccc(F)c2C)[C@@H](C(=O)N2CCCCC2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
REN P00797 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL4021833 0.87 DPP4 (0.36) ALDH1A1TSHRKDM4EPKMKMT2A
SCHEMBL4774511 0.86 KDM4E (0.30) TSHRKDM4EPKM
SCHEMBL4028057 0.85 ALDH1A1 (0.37) ALDH1A1TSHRKDM4EPKMMAPT
SCHEMBL4028055 0.85 ALDH1A1 (0.37) ALDH1A1TSHRKDM4EPKMMAPT
SCHEMBL4026185 0.82 MGLL (0.34) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL4026195 0.82 MGLL (0.34) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL4018665 0.82 DPP4 (0.37) ALDH1A1TSHRKDM4EPKMMAPT
SCHEMBL4020144 0.81 DPP4 (0.38) ALDH1A1TSHRKDM4EPKMMAPT
SCHEMBL4022016 0.81 ALDH1A1 (0.38) ALDH1A1TSHRKDM4EPKMMAPT
SCHEMBL4028039 0.81 DPP4 (0.36) ALDH1A1TSHRKDM4EPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 ALDH1A1 258/4885SMN1; SMN2 3134/4885TSHR 4351/4885

“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.