SCHEMBL25020716

SCHEMBL25020716

CC(C)N(C)c1ncccc1COP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ ACP1 P24666 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ P2RX1 P51575 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ PNPO Q9NVS9 1/20 0.35
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ FDPS P14324 5/20 0.32
▸ HTT P42858 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KCNA5 P22460 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ CHRNB2 P17787 1/20 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
SCHEMBL25657152 0.91 KCNA5 (0.33) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL26158321 0.86 ESR1 (0.39) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL25833602 0.84 ESR1 (0.34) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL25834986 0.81 ESR1 (0.36) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL25836186 0.81 ESR1 (0.36) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL23692295 0.80 ESR1 (0.32) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL25836189 0.80 ESR1 (0.35) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL29753770 0.79 ADORA3 (0.37) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL23692294 0.78 TACR1 (0.35) ESR1PTGS1ACP1PDE4AP2RX1
SCHEMBL25943764 0.76 CASP3 (0.33) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151024-A1 STING AGONISTIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-18 — — US disclosed
US-20230141284-A1 CANCER THERAPEUTIC METHOD ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-11 — — US disclosed
EP-4134134-A1 STING AGONISTIC COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2023-02-15 — — EP 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-20230141284-A1 CANCER THERAPEUTIC METHOD STING1, CGAS, IFNAR1 ESR1 545/4885PTGS1 241/4885ACP1 4412/4885
US-20230151024-A1 STING AGONISTIC COMPOUND STING1, CGAS, TLR1 ESR1 371/4885PTGS1 581/4885ACP1 3411/4885

“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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