SCHEMBL13197064

SCHEMBL13197064

CC(C)CCc1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 3/20 0.40
▸ LPL P06858 10/20 0.38
▸ LIPG Q9Y5X9 10/20 0.38
▸ ANPEP P15144 1/20 0.34
▸ LAP3 P28838 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ DHODH Q02127 1/20 0.30
▸ ESR2 Q92731 1/20 0.30

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
SCHEMBL13197065 0.83 GABRA1 (0.40) CXCR2LPLLIPGANPEPLAP3
SCHEMBL15780082 0.81 LIPG (0.50) CXCR2LPLLIPGANPEPLAP3
SCHEMBL13202078 0.81 LPL (0.43) CXCR2LPLLIPGANPEPLAP3
SCHEMBL22717876 0.80 CXCR2 (0.42) CXCR2LPLLIPGANPEPLAP3
SCHEMBL30393353 0.80 LPL (0.42) CXCR2LPLLIPGANPEPLAP3
SCHEMBL2586990 0.80 LPL (0.42) CXCR2LPLLIPGANPEPLAP3
SCHEMBL16077614 0.79 LIPG (0.47) CXCR2LPLLIPG
SCHEMBL24299234 0.77 CXCR2 (0.40) CXCR2LPLLIPGANPEPLAP3
SCHEMBL29543244 0.77 CXCR2 (0.40) CXCR2LPLLIPGANPEPLAP3
SCHEMBL23295322 0.77 CXCR2 (0.40) CXCR2LPLLIPGANPEPLAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
EP-4225446-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
US-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 — — US disclosed
US-8981106-B2 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-17 — — US disclosed
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS, INC. (US) 2014-07-24 — — 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 (4 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CXCR2 896/4885LPL 788/4885LIPG 1310/4885
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS CXCR2, CXCR1, CXCR3 CXCR2 1/4885LPL 3097/4885LIPG 2110/4885
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators CXCR2, CXCR1, CXCR3 CXCR2 1/4885LPL 3723/4885LIPG 2689/4885
US-20230382924-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CXCR2 963/4885LPL 833/4885LIPG 1376/4885

“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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