SCHEMBL4772969

SCHEMBL4772969

CCOC(=O)CC(=O)CC(NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
CYP2D6 P10635 1/20 0.47
ABCB1 P08183 1/20 0.41
CTSK P43235 3/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL31402184 0.90 CA1 (0.59) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL20877749 0.90 CA1 (0.59) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL17034685 0.85 CYP1A2 (0.50) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL4771470 0.82 CA1 (0.61) CA1CA2CA7CYP2D6CTSK
SCHEMBL20280675 0.81 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL20280840 0.81 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HTTCYP2D6
SCHEMBL7356326 0.80 CA1 (0.67) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL19305318 0.79 CA2 (0.65) CA1CA2CA7HTTCYP2D6
SCHEMBL17724546 0.79 CA2 (0.65) CA1CA2CA7HTTCYP2D6
SCHEMBL84186 0.77 CYP1A2 (0.54) CA1CA2CA7CYP1A2CYP2C9

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
EP-1660085-B1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-10-15 EP disclosed
EP-1660085-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-05-31 EP disclosed
US-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 US disclosed
WO-2005013986-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 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-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors MAP3K6, MAP3K5, MAP4K2 CA1 4861/4885CA2 3954/4885CA7 4771/4885

“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.