SCHEMBL22612005

SCHEMBL22612005

CCC(N)(C(=O)O)C(=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
TSHR P16473 1/20 0.35
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
GGT1 P19440 1/20 0.31
FFAR3 O14843 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL6882712 0.84 MEN1 (0.46) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL7253604 0.77 ALDH1A1 (0.41) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL7320060 0.77 MEN1 (0.41) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL18036525 0.77 MEN1 (0.41) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL16568741 0.75 MEN1 (0.40) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL22612009 0.74 SMPD1 (0.44) ALDH1A1MEN1KMT2ATSHR
SCHEMBL28099391 0.74 MEN1 (0.43) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL27553149 0.73 MEN1 (0.39) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL4361740 0.73 MEN1 (0.39) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL27413713 0.72 ALDH1A1 (0.37) ALDH1A1MEN1CYP1A2KMT2ATHRB

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-20200347011-A1 DOUBLE-HEADED PROTEASE INHIBITOR UBE INDUSTRIES, LTD. (JP) 2020-11-05 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-20200347011-A1 DOUBLE-HEADED PROTEASE INHIBITOR TMPRSS15, SPINT2, PRSS2 ALDH1A1 1685/4885MEN1 519/4885CYP1A2 1488/4885

“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.