SCHEMBL23056493

SCHEMBL23056493

C=CCCC(=O)N[C@H](C(=O)O[C@@H]1C(COP(=O)(O)[C@H]2C(n3ccc(N)nc3=O)CO[C@@H]2COP(=O)(O)O)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.46
▸ P2RY11 Q96G91 2/20 0.43
▸ DNPH1 O43598 1/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ TRPM2 O94759 1/20 0.43
▸ LDHA P00338 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ FBP1 P09467 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ P2RY2 P41231 1/20 0.43
▸ P2RY1 P47900 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43

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
SCHEMBL21838003 0.90 ENPP1 (0.52) ENPP1P2RX3P2RX4P2RX2RNASEL
SCHEMBL21838006 0.90 ENPP1 (0.52) ENPP1P2RX3P2RX4P2RX2RNASEL
SCHEMBL23056367 0.88 DNPH1 (0.40) ENPP1P2RY11DNPH1PRKAB2TRPM2
SCHEMBL16568348 0.87 ENPP1 (0.48) ENPP1P2RY11DNPH1PRKAB2TRPM2
SCHEMBL16574857 0.87 ENPP1 (0.48) ENPP1P2RY11DNPH1PRKAB2TRPM2
SCHEMBL16578245 0.87 ENPP1 (0.48) ENPP1P2RY11DNPH1PRKAB2TRPM2
SCHEMBL16568351 0.87 ENPP1 (0.48) ENPP1P2RY11DNPH1PRKAB2TRPM2
SCHEMBL16568354 0.87 ENPP1 (0.48) ENPP1P2RY11DNPH1PRKAB2TRPM2
SCHEMBL23157262 0.85 ENPP1 (0.44) ENPP1P2RY11DNPH1PRKAB2TRPM2
SCHEMBL21837513 0.85 RNASEL (0.45) ENPP1P2RX3P2RX4P2RX2RNASEL

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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 — — 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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R ENPP1 1849/4885P2RY11 2402/4885DNPH1 1798/4885

“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.

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