SCHEMBL3132037

SCHEMBL3132037

CC(C)(O)CNc1cc(C(N)=O)cc(S(C)(=O)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.47
▸ SCN9A Q15858 2/20 0.47
▸ VNN1 O95497 1/20 0.33
▸ IDH2 P48735 2/20 0.33
▸ LIPC P11150 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ PTGS2 P35354 6/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CDC7 O00311 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ HIPK2 Q9H2X6 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ MAP4K4 O95819 1/20 0.30
▸ PTGDR Q13258 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
SCHEMBL3118400 0.82 SCN9A (0.41) FPR2SCN9AVNN1LIPCLIPG
SCHEMBL3439211 0.81 FPR2 (0.35) FPR2SCN9AIDH2PTGS2CDC7
SCHEMBL3132045 0.80 FPR2 (0.35) FPR2SCN9APTGS2CDC7ROCK2
Hydrochloric Acid SCHEMBL3855159 0.78 TLR8 (0.42) PTGS2GSK3BCLK4
SCHEMBL17461522 0.73 PTGER2 (0.39) FPR2SCN9AIDH2CDC7ROCK2
SCHEMBL1348688 0.70 POLB (0.40) PRKACAMAP4K4
SCHEMBL1349270 0.69 MAP4K4 (0.36) HIPK2MAP4K4
SCHEMBL12131080 0.69 NUDT1 (0.36) PTGS2
SCHEMBL1346260 0.67 LMNA (0.47) —
SCHEMBL3126792 0.65 MAP4K4 (0.33) MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 — — EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 — — US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 — — US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 — — US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 — — 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 (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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 FPR2 298/4885SCN9A 3364/4885VNN1 4456/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 FPR2 138/4885SCN9A 4548/4885VNN1 2012/4885

“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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