SCHEMBL23710264

SCHEMBL23710264

CC[C@@H](C)CCCNC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
EPHX1 P07099 4/20 0.35
RRM1 P23921 1/20 0.35
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
C3AR1 Q16581 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
MMP8 P22894 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GAA P10253 1/20 0.33
ACE2 Q9BYF1 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
SCHEMBL13056218 1.00 DPP7 (0.38) DPP7MEN1KMT2ACA1CA2
SCHEMBL18827304 0.92 GNAI3 (0.41) DPP7MEN1KMT2AEPHX1RRM1
SCHEMBL29334750 0.86 DPP7 (0.49) DPP7CA1CA2EPHX1RRM1
SCHEMBL8511018 0.84 EPHX1 (0.34) DPP7MEN1KMT2AEPHX1RRM1
SCHEMBL14492895 0.82 KDM4E (0.54) DPP7MEN1KMT2AEPHX1TSHR
SCHEMBL4761459 0.82 KDM4E (0.54) DPP7MEN1KMT2AEPHX1TSHR
SCHEMBL23901022 0.82 CYP2D6 (0.41) DPP7MEN1KMT2AEPHX1TSHR
SCHEMBL13073784 0.82 MMP9 (0.40) DPP7MEN1KMT2ACA1CA2
SCHEMBL13937744 0.81 ANPEP (0.40) DPP7MEN1KMT2ACA1EPHX1
SCHEMBL21391388 0.81 MEN1 (0.42) DPP7MEN1KMT2AEPHX1RRM1

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-20210238225-A1 PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-08-05 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-20210238225-A1 PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) PIN1, PPIA, PPIE DPP7 63/4885MEN1 3110/4885KMT2A 4175/4885

“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.