SCHEMBL3045267

SCHEMBL3045267

NC(=O)C[C@H](Cc1ccccc1)NCC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CTRB1 P17538 3/20 0.46
MDM2 Q00987 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CES1 P23141 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIN1 Q13526 2/20 0.41
EPHX1 P07099 1/20 0.41
CTSL P07711 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 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
SCHEMBL3058398 1.00 DPP4 (0.47) DPP4SIGMAR1CTRB1MDM2KDM4E
SCHEMBL3059934 1.00 DPP4 (0.47) DPP4SIGMAR1CTRB1MDM2KDM4E
SCHEMBL3053992 0.91 DPP4 (0.47) DPP4SIGMAR1CTRB1MEN1MAPT
SCHEMBL3053952 0.91 DPP4 (0.47) DPP4SIGMAR1MEN1CYP3A4MAPT
SCHEMBL3050470 0.91 DPP4 (0.47) DPP4SIGMAR1MEN1CYP3A4MAPT
SCHEMBL3040846 0.91 DPP4 (0.47) DPP4SIGMAR1CTRB1MEN1MAPT
SCHEMBL8820357 0.83 MAPK1 (0.51) DPP4SIGMAR1CTRB1MDM2KDM4E
SCHEMBL3706360 0.82 DPP4 (0.47) DPP4SIGMAR1CTRB1MDM2KDM4E
SCHEMBL3790429 0.80 SIGMAR1 (0.50) SIGMAR1CYP3A4MAPK1EPHX1ALPI
Hydrochloric Acid SCHEMBL3049777 0.79 SIGMAR1 (0.49) SIGMAR1CYP3A4MAPK1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 DPP4 139/4885SIGMAR1 264/4885CTRB1 3963/4885

“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.