SCHEMBL9262012

SCHEMBL9262012

COc1cc(C(C)C)ccc1-c1cnco1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 0.65
IMPDH1 P20839 1/20 0.65
AAK1 Q2M2I8 15/20 0.56

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
SCHEMBL19954811 0.88 IMPDH2 (0.54) IMPDH2IMPDH1AAK1
SCHEMBL6639762 0.81 IMPDH2 (0.68) IMPDH2IMPDH1AAK1
SCHEMBL8075634 0.80 IMPDH2 (0.70) IMPDH2IMPDH1AAK1
SCHEMBL6639753 0.79 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL4243902 0.79 IMPDH2 (0.56) IMPDH2IMPDH1AAK1
SCHEMBL23032430 0.79 IMPDH2 (0.47) IMPDH2IMPDH1AAK1
SCHEMBL30298739 0.79 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL1353846 0.79 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL16775707 0.78 LMNA (0.52) IMPDH2IMPDH1AAK1
SCHEMBL21757560 0.77 IMPDH2 (0.74) IMPDH2IMPDH1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 US disclosed
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 US disclosed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US disclosed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 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 (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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP IMPDH2 4244/4885IMPDH1 3881/4885AAK1 4289/4885
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 IMPDH2 1030/4885IMPDH1 971/4885AAK1 61/4885

“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.