Sugi Predict

Sugi Predict / Compounds / SCHEMBL4472386

SCHEMBL4472386

SCHEMBL4472386

O=C(O)CCC(=O)OCn1nc(-c2ccccc2Cl)c2cnc(Oc3ccc(F)cc3F)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 4/20 0.41
▸ FABP7 O15540 1/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ MAPK14 Q16539 11/20 0.37
▸ SNCA P37840 1/20 0.36
▸ MERTK Q12866 1/20 0.35
▸ FABP4 P15090 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CTSA P10619 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33

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
SCHEMBL4475894 0.85 MAPK14 (0.41) MAPK14MERTKMAPK11
SCHEMBL4475490 0.80 MAPK14 (0.38) FABP3FABP7FABP5MAPK14SNCA
SCHEMBL4479724 0.80 FABP3 (0.37) FABP3FABP7FABP5SNCAMERTK
SCHEMBL4480138 0.80 FABP3 (0.37) FABP3FABP7FABP5SNCAMERTK
SCHEMBL5106338 0.79 PDE10A (0.48) MAPK14MAPK11
SCHEMBL4475438 0.79 MAPK14 (0.41) FABP3FABP7FABP5MAPK14CTSA
SCHEMBL4755290 0.78 FABP3 (0.36) FABP3FABP7FABP5MAPK14CTSA
SCHEMBL4019746 0.69 CHRM4 (0.39) FABP3MAPK14KDM4EDGAT2MAPK11
SCHEMBL4014215 0.69 MAPK14 (0.58) MAPK14MAPK11
SCHEMBL13672546 0.68 MAPK14 (0.43) MAPK14MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608603-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-27 — — US claimed
US-7608603-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-27 — — US disclosed
US-7608603-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-27 — — US disclosed
US-7608603-B2 Substituted pyrazolo[3,4-D]pyrimidines as p38 MAP kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-10-27 — — US disclosed
US-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
US-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
US-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — 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-20070049597-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAPK9, MAPK3 FABP3 3757/4885FABP7 3804/4885FABP5 4575/4885

“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.