SCHEMBL13197066

SCHEMBL13197066

CC(C)CCc1ccccc1B1OC2CC3CC(C3(C)C)C2(C)O1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 1/20 0.51
▸ PSMB5 P28074 10/20 0.41
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ PREP P48147 4/20 0.39
▸ F2 P00734 4/20 0.38
▸ PRSS1 P07477 1/20 0.38

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
SCHEMBL15890142 0.90 CXCR2 (0.49) CXCR2PSMB5PSEN1PSEN2APH1B
SCHEMBL15780083 0.88 CXCR2 (0.51) CXCR2PSMB5PSEN1PSEN2APH1B
SCHEMBL15891771 0.88 CXCR2 (0.53) CXCR2PSMB5PSEN1PSEN2APH1B
SCHEMBL5899514 0.75 CXCR2 (0.42) CXCR2PSMB5PSEN1PSEN2APH1B
SCHEMBL5899540 0.75 CXCR2 (0.42) CXCR2PSMB5PSEN1PSEN2APH1B
SCHEMBL13720661 0.75 PREP (0.48) CXCR2PSMB5PSEN1PSEN2APH1B
SCHEMBL12721154 0.75 PREP (0.48) CXCR2PSMB5PSEN1PSEN2APH1B
SCHEMBL29664854 0.73 CXCR2 (0.43) CXCR2PSMB5PSEN1PSEN2APH1B
SCHEMBL13197064 0.71 CXCR2 (0.40) CXCR2
SCHEMBL26797250 0.70 PSMB5 (0.51) PSMB5PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 — — US disclosed
US-8748623-B2 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2014-06-10 — — US disclosed
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS, INC. (US) 2010-08-19 — — US disclosed
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS, INC. (US) 2010-08-19 — — 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-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators CXCR2, CXCR1, CXCR3 CXCR2 1/4885PSMB5 3622/4885PSEN1 4011/4885

“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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