Sugi Predict

Sugi Predict / Compounds / SCHEMBL1600710

SCHEMBL1600710

SCHEMBL1600710

CCN(C(=O)OC(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37

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
SCHEMBL22264784 0.87 MTNR1A (0.39) HDAC8LMNARIPK1MTNR1AMTNR1B
SCHEMBL2919371 0.86 MTNR1A (0.40) HDAC8LMNARIPK1MTNR1AMTNR1B
SCHEMBL10401421 0.86 MTNR1A (0.40) HDAC8TSHRLMNARIPK1MTNR1A
SCHEMBL3058381 0.85 SMN1; SMN2 (0.42) TSHRLMNARIPK1MTNR1AMTNR1B
SCHEMBL4461274 0.84 ALDH1A1 (0.50) HDAC8TSHRMTNR1AMTNR1BALDH1A1
SCHEMBL30877124 0.84 MTNR1A (0.39) HDAC8TSHRRIPK1MTNR1AMTNR1B
SCHEMBL12707645 0.83 HDAC8 (0.56) HDAC8TSHRALDH1A1GLAF2
SCHEMBL18401327 0.83 ALDH1A1 (0.39) HDAC8TSHRALDH1A1GLAMEN1
SCHEMBL2552511 0.82 TSHR (0.41) HDAC8TSHRLMNAALDH1A1GLA
SCHEMBL4497170 0.82 MTNR1B (0.39) HDAC8TSHRMTNR1BALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102203093-A Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2011-09-28 — — CN disclosed
US-7919523-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. (US) 2011-04-05 — — US disclosed
US-7919523-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. (US) 2011-04-05 — — US disclosed
US-7919523-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. (US) 2011-04-05 — — US disclosed
EP-2099774-A1 INHIBITORS OF KINASE ACTIVITY Cytopia Research Pty Ltd (AU) 2009-09-16 — — EP disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 — — US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 — — US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 — — US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 — — US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 — — US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 — — US disclosed
WO-2008058341-A1 INHIBITORS OF KINASE ACTIVITY CYTOPIA RESEARCH PTY LTD (AU) 2008-05-22 — — WO disclosed
EP-1637518-A2 Inhibitors of aspartyl protease Vertex Pharmaceuticals Incorporated (US) 2006-03-22 — — EP disclosed
EP-1159278-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2005-11-30 — — EP disclosed
US-20040127488-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2004-07-01 — — US disclosed
US-6617350-B2 Sulfonamides which are aspartyl protease inhibitors; well suited for inhibiting HIV-1 and HIV-2 protease activity VERTEX PHARMACEUTICALS INCORPORATED 2003-09-09 — — US disclosed
US-20020198388-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-12-26 — — US disclosed
EP-1159278-A2 INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2001-12-05 — — EP disclosed
US-6319946-B1 BENZODIOXOLYLSULFONAMIDES; INHIBITING HIV-1 AND HIV-2 PROTEASE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED 2001-11-20 — — US disclosed
WO-2000047551-A2 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-08-17 — — 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 (3 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-20090042973-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 HDAC8 1239/4885TSHR 4851/4885LMNA 4130/4885
US-20040127488-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 HDAC8 1239/4885TSHR 4851/4885LMNA 4130/4885
US-20020198388-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 HDAC8 1239/4885TSHR 4851/4885LMNA 4130/4885

“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.