SCHEMBL21392501

SCHEMBL21392501

COC(=O)c1ccc(N)c(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPN6 P29350 1/20 0.56
ABL1 P00519 1/20 0.54
RIN1 Q13671 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
HDAC1 Q13547 8/20 0.51
HDAC2 Q92769 8/20 0.51
HDAC3 O15379 4/20 0.50
STS P08842 2/20 0.47
HTT P42858 1/20 0.45

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
SCHEMBL21392497 0.92 PTPN2 (0.56) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL29848355 0.86 ALDH1A1 (0.55) PTPN2PTPN1PTPN6KDM4EALDH1A1
SCHEMBL18547071 0.86 ALDH1A1 (0.55) PTPN2PTPN1PTPN6KDM4EALDH1A1
SCHEMBL18547146 0.83 ALDH1A1 (0.54) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL13125050 0.82 NPSR1 (0.61) KDM4EALDH1A1KMT2ANPC1RAB9A
SCHEMBL14447535 0.82 PTPN2 (0.55) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL29847387 0.82 HDAC1 (0.48) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL29847380 0.82 HDAC1 (0.48) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL14447471 0.82 PTPN2 (0.62) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL18554650 0.81 ALDH1A1 (0.54) PTPN2PTPN1PTPN6ABL1RIN1

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-20190292189-A1 LIM KINASE INHIBITORS VIRONGY, LLC 2019-09-26 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-20190292189-A1 LIM KINASE INHIBITORS LIMK1, LIMK2, LIMA1 PTPN2 3645/4885PTPN1 3611/4885PTPN6 2776/4885

“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.