Sugi Predict

Sugi Predict / Compounds / SCHEMBL10025280

SCHEMBL10025280

SCHEMBL10025280

CC(C)(C)NC(=O)C(=O)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.71
▸ MAPT P10636 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ RIPK1 Q13546 1/20 0.56
▸ NPC1 O15118 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ CYP2C9 P11712 1/20 0.51
▸ MMP8 P22894 1/20 0.50
▸ ALPL P05186 1/20 0.49
▸ ALPI P09923 1/20 0.49
▸ ALPG P10696 1/20 0.49
▸ GAA P10253 1/20 0.49

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
SCHEMBL3056874 0.84 KMT2A (0.71) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL8790625 0.84 MAPT (0.70) RAB9AMAPTALDH1A1L3MBTL1RIPK1
SCHEMBL13613091 0.80 ALDH1A1 (0.57) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL10058715 0.79 MEN1 (0.66) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4486771 0.79 KMT2A (0.66) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL18459819 0.77 ALDH1A1 (0.66) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL7563589 0.77 ALDH1A1 (0.62) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1867492 0.77 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11471148 0.76 CES1 (0.57) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL11503706 0.76 RAB9A (0.70) RAB9AMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031277-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-30 — — US disclosed
US-8536136-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-17 — — US disclosed
US-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 — — US disclosed
US-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 — — US disclosed
US-8039623-B2 Peptidomimetics compound; viricides; interference in life cycle og hepatitis c virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 — — US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 — — US disclosed
US-20100330109-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 — — US disclosed
US-20100330109-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 — — US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 — — US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 — — US disclosed
US-7683033-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 — — US disclosed
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-01-22 — — US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 — — US disclosed
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2007-07-12 — — US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 — — 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 (7 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-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES PRSS1, SERPINB1, SPINT2 RAB9A 1813/4885MAPT 3785/4885ALDH1A1 1770/4885
US-20100330109-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 RAB9A 2028/4885MAPT 3774/4885ALDH1A1 1658/4885
US-20140031277-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 RAB9A 2028/4885MAPT 3774/4885ALDH1A1 1658/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK RAB9A 2234/4885MAPT 329/4885ALDH1A1 1744/4885
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 RAB9A 2028/4885MAPT 3774/4885ALDH1A1 1658/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 RAB9A 2498/4885MAPT 538/4885ALDH1A1 1929/4885
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 RAB9A 1745/4885MAPT 3763/4885ALDH1A1 1642/4885

“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.