SCHEMBL21391802

SCHEMBL21391802

CSCCCOc1cc(OCCCC(C)C)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.52
RARB P10826 1/20 0.50
MAPK1 P28482 1/20 0.49
NR1H4 Q96RI1 2/20 0.42
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
HPGD P15428 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL19806813 0.90 PLA2G2A (0.63) PLA2G2ARARBMAPK1NR1H4GRIN2D
SCHEMBL21391915 0.84 PLA2G2A (0.69) PLA2G2ARARBMAPK1KMT2ATP53
SCHEMBL19806815 0.83 PLA2G2A (0.77) PLA2G2ARARBMAPK1KMT2ATP53
SCHEMBL1107679 0.75 GCK (0.50) PLA2G2ARARB
SCHEMBL23516920 0.74 PLA2G2A (0.59) PLA2G2ARARBMAPK1NR1H4GRIN2D
SCHEMBL6539739 0.74 MAPK1 (0.84) RARBMAPK1TP53TSHR
SCHEMBL10169578 0.74 MAPK1 (0.62) PLA2G2ARARBMAPK1NR1H4KMT2A
SCHEMBL10137630 0.72 MAPK1 (0.60) PLA2G2ARARBMAPK1NR1H4KMT2A
SCHEMBL418506 0.72 MAPK1 (0.60) PLA2G2ARARBMAPK1NR1H4KMT2A
SCHEMBL4276418 0.72 PLA2G2A (0.54) PLA2G2ARARBMAPK1NR1H4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034720-B2 Thiol-yne based peptide stapling and uses thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-06-15 US disclosed
US-20190292218-A1 THIOL-YNE BASED PEPTIDE STAPLING AND USES THEREOF UNIVERSITY OF UTAH 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 (2 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-20190292218-A1 THIOL-YNE BASED PEPTIDE STAPLING AND USES THEREOF IAPP, TP53, GLP1R PLA2G2A 4711/4885RARB 4776/4885MAPK1 4332/4885
US-11034720-B2 Thiol-yne based peptide stapling and uses thereof IAPP, TP53, GLP1R PLA2G2A 4711/4885RARB 4776/4885MAPK1 4332/4885

“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.