Sugi Predict

Sugi Predict / Compounds / SCHEMBL2744548

SCHEMBL2744548

SCHEMBL2744548

COc1ccc(-c2cc(C(=O)O)ccc2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ MAPK14 Q16539 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ RXRA P19793 1/20 0.54
▸ GRIK1 P39086 1/20 0.54
▸ GRIA1 P42261 1/20 0.54
▸ GRIA2 P42262 1/20 0.54
▸ GRIA3 P42263 1/20 0.54
▸ GRIA4 P48058 1/20 0.54
▸ MAP4K4 O95819 1/20 0.53
▸ NR4A2 P43354 1/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CHEK1 O14757 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP2C8 P10632 1/20 0.48

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
SCHEMBL5024584 0.87 SMN1; SMN2 (0.59) CA1CA2KDM4ESMN1; SMN2LMNA
SCHEMBL6059390 0.87 CA1 (0.63) CA1CA2KDM4ESMN1; SMN2LMNA
SCHEMBL4603074 0.86 GRIK1 (0.62) MAPK14SMN1; SMN2RXRAGRIK1GRIA1
SCHEMBL3920855 0.84 CA1 (0.59) CA1CA2KDM4ESMN1; SMN2LMNA
SCHEMBL6248458 0.84 LMNA (0.68) CA1CA2KDM4ESMN1; SMN2LMNA
SCHEMBL10993825 0.84 SMN1; SMN2 (0.64) CA1CA2KDM4ESMN1; SMN2LMNA
SCHEMBL5098764 0.84 EGFR (0.54) CA1CA2MAPK14KDM4ELMNA
SCHEMBL2228731 0.83 HCRTR1 (0.56) SMN1; SMN2RXRAGRIK1GRIA1GRIA2
SCHEMBL2423300 0.83 KMT2A (0.63) MAPK14KDM4ERXRAGRIK1GRIA1
SCHEMBL2744367 0.83 MAPT (0.54) MAPK14KDM4ELMNARXRAGRIK1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 — — EP claimed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 — — US claimed
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 — — US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 — — US claimed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 — — EP claimed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 — — US claimed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 — — EP claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 — — WO claimed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 — — WO claimed
CN-102746285-B Compounds and compositions as HEDGEHOG pathway modulators 太阳制药国际公司 2022-01-14 — — CN disclosed
EP-3023097-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2016-05-25 — — EP disclosed
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 — — EP disclosed
US-20150209365-A1 Methods and Compositions for Treating Luekemia NOVARTIS AG (CH) 2015-07-30 — — US disclosed
US-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES BUONAMICI SILVIA (US) 2015-01-22 — — US disclosed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 — — EP disclosed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 — — US disclosed
CN-101437800-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (BM) 2009-05-20 — — CN disclosed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 — — EP disclosed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 — — WO disclosed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 — — 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 (5 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-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES MTOR, ULK1, HRAS CA1 3054/4885CA2 2802/4885MAPK14 816/4885
US-20150209365-A1 Methods and Compositions for Treating Luekemia MCL1, ABL1, BCR CA1 3614/4885CA2 2527/4885MAPK14 1933/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 CA1 2478/4885CA2 2015/4885MAPK14 2353/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO CA1 1644/4885CA2 1747/4885MAPK14 1601/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO CA1 1644/4885CA2 1747/4885MAPK14 1601/4885

“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.