SCHEMBL17831727

SCHEMBL17831727

CC(C(=O)OP)c1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 2/20 0.43
▸ CXCR1 P25024 1/20 0.42
▸ RORC P51449 2/20 0.37
▸ AKR1C3 P42330 6/20 0.36
▸ AKR1C2 P52895 6/20 0.36
▸ APP P05067 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ CNR1 P21554 1/20 0.32

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
SCHEMBL17831703 0.89 CXCR2 (0.46) CXCR2CXCR1RORCAKR1C3AKR1C2
SCHEMBL1678689 0.87 AKR1C3 (0.47) CXCR2CXCR1AKR1C3AKR1C2APP
SCHEMBL17904514 0.86 CXCR2 (0.45) CXCR2CXCR1RORCAKR1C3AKR1C2
SCHEMBL1920853 0.82 CXCR2 (0.41) CXCR2CXCR1RORCFFAR1
SCHEMBL17906332 0.73 MT-CO2 (0.40) AKR1C3AKR1C2APPCHRM1PTGS1
SCHEMBL16868799 0.73 AKR1C3 (0.50) CXCR2CXCR1AKR1C3AKR1C2APP
SCHEMBL6139341 0.72 ESRRA (0.46) RORCAKR1C3AKR1C2
SCHEMBL1679279 0.72 AKR1C3 (0.55) CXCR2CXCR1AKR1C3AKR1C2APP
SCHEMBL4950565 0.72 TSHR (0.49) —
SCHEMBL1411728 0.71 CA1 (0.46) PTGS1

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-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 — — US disclosed
WO-2016093342-A1 DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF 日本たばこ産業株式会社 2016-06-16 — — WO 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-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI CXCR2 1874/4885CXCR1 2455/4885RORC 348/4885

“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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