SCHEMBL23692294

SCHEMBL23692294

CN(C(=O)C(C)(C)C)c1ncccc1COP(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ RIPK1 Q13546 4/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ P2RX1 P51575 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ PNPO Q9NVS9 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ CASP3 P42574 2/20 0.32
▸ SENP8 Q96LD8 2/20 0.32
▸ SENP7 Q9BQF6 2/20 0.32
▸ SENP6 Q9GZR1 2/20 0.32
▸ CHRM2 P08172 2/20 0.31
▸ CHRM4 P08173 2/20 0.31
▸ CHRM5 P08912 2/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ CHRM3 P20309 2/20 0.31

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
SCHEMBL25834986 0.86 ESR1 (0.36) POLBESR1PTGS1ACP1PDE4A
SCHEMBL25836189 0.85 ESR1 (0.35) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL29753770 0.84 ADORA3 (0.37) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL25833602 0.84 ESR1 (0.34) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL23084662 0.83 CHRM2 (0.33) POLBESR1PTGS1ACP1PDE4A
SCHEMBL26158321 0.83 ESR1 (0.39) POLBESR1PTGS1ACP1PDE4A
SCHEMBL25834985 0.81 TACR1 (0.36) TACR1POLBTRPV1CHRM2CHRM4
SCHEMBL25943764 0.81 CASP3 (0.33) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL22624265 0.80 GAA (0.34) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL25020716 0.78 ESR1 (0.39) ESR1PTGS1ACP1PDE4AP2RX1

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-11149043-B2 Prodrug modulators of the integrated stress pathway CALICO LIFE SCIENCES LLC (US) 2021-10-19 — — US disclosed
US-20210230195-A1 PRODRUG MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2021-07-29 — — 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-11149043-B2 Prodrug modulators of the integrated stress pathway ATF4, ATF1, DDIT3 TACR1 2724/4885POLB 2238/4885RIPK1 432/4885
US-20210230195-A1 PRODRUG MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TACR1 2724/4885POLB 2238/4885RIPK1 432/4885

“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.

Send feedback