Sugi Predict

Sugi Predict / Compounds / SCHEMBL6002799

SCHEMBL6002799

SCHEMBL6002799

CCc1ccc(NC(=O)OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.62
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ RAB9A P51151 7/20 0.60
▸ LMNA P02545 1/20 0.58
▸ SRC P12931 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ NPC1 O15118 4/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ FAAH O00519 1/20 0.54
▸ HPGD P15428 2/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL1022686 0.86 SMN1; SMN2 (0.64) MAPTSMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL9609808 0.85 SMN1; SMN2 (0.82) MAPTSMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL11338386 0.85 RAB9A (0.57) MAPTSMN1; SMN2RAB9ALMNASRC
SCHEMBL10205641 0.85 RAB9A (0.61) MAPTSMN1; SMN2RAB9ALMNASRC
SCHEMBL6002796 0.85 RAB9A (0.57) MAPTSMN1; SMN2RAB9ALMNASRC
SCHEMBL11661313 0.85 MAPT (0.59) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL18183585 0.83 SMN1; SMN2 (0.56) MAPTSMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL13073361 0.83 RAB9A (0.56) MAPTSMN1; SMN2RAB9ALMNASRC
SCHEMBL17613379 0.82 SMN1; SMN2 (0.60) MAPTSMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL19390284 0.82 SMN1; SMN2 (0.60) MAPTSMN1; SMN2RAB9ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249138-B2 Anti-viral compounds ABBVIE INC. (US) 2016-02-02 — — US disclosed
US-9163017-B2 Anti-viral compounds ABBVIE INC. (US) 2015-10-20 — — US disclosed
US-8974915-B2 Block copolymer and nanofiller composites RENSSELAER POLYTECHNIC INSTITUTE (US) 2015-03-10 — — US disclosed
US-20140213601-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 — — US disclosed
US-20140213595-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 — — US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 — — US disclosed
US-8546405-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-10-01 — — US disclosed
US-8541424-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-09-24 — — US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 — — US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 — — US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 — — US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 — — US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 — — US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 — — US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 — — US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 — — US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 — — US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — 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 (9 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 MAPT 3192/4885SMN1; SMN2 4275/4885RAB9A 2564/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 MAPT 3192/4885SMN1; SMN2 4275/4885RAB9A 2564/4885
US-20140213595-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MAPT 2833/4885SMN1; SMN2 4141/4885RAB9A 1535/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 MAPT 3192/4885SMN1; SMN2 4275/4885RAB9A 2564/4885
US-20140213601-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS MAPT 2833/4885SMN1; SMN2 4141/4885RAB9A 1535/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 MAPT 4008/4885SMN1; SMN2 2668/4885RAB9A 94/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 MAPT 3606/4885SMN1; SMN2 2894/4885RAB9A 730/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 MAPT 3087/4885SMN1; SMN2 2965/4885RAB9A 1263/4885
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B MAPT 642/4885SMN1; SMN2 361/4885RAB9A 1281/4885

“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.