Sugi Predict

Sugi Predict / Compounds / SCHEMBL10130645

SCHEMBL10130645

SCHEMBL10130645

CC(C)C/C=C\c1cnc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.61
▸ PDGFRA P16234 3/20 0.61
▸ RAB9A P51151 3/20 0.54
▸ KMT2A Q03164 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ CYP1A2 P05177 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTR2A P28223 3/20 0.40
▸ TLR8 Q9NR97 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ MGAM O43451 1/20 0.38

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
SCHEMBL12132423 1.00 PDGFRB (0.61) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL10162435 0.82 PDGFRB (0.67) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL15850346 0.82 PDGFRB (0.67) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL2056162 0.82 PDGFRB (0.67) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL13723268 0.82 CHRNB2 (0.40) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL12132427 0.82 NPC1 (0.56) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL13699047 0.81 PDGFRB (0.54) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL25584023 0.81 PDGFRB (0.56) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL13723845 0.80 CHRNB2 (0.41) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2
SCHEMBL16836415 0.79 PDGFRB (0.63) PDGFRBPDGFRARAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 — — US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 — — US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 — — US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 — — US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 — — US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 — — US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 — — 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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 — — US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
WO-2007115278-A2 3,6,11-TRICYCLOLIDE ENANTA PHARMACEUTICALS, INC. (US) 2007-10-11 — — WO 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-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-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 — — US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 — — 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 PDGFRB 4248/4885PDGFRA 4028/4885RAB9A 2564/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 PDGFRB 4248/4885PDGFRA 4028/4885RAB9A 2564/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 PDGFRB 4248/4885PDGFRA 4028/4885RAB9A 2564/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 PDGFRB 2556/4885PDGFRA 2654/4885RAB9A 94/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 PDGFRB 3984/4885PDGFRA 3854/4885RAB9A 1907/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 PDGFRB 4308/4885PDGFRA 4325/4885RAB9A 730/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 PDGFRB 4248/4885PDGFRA 4028/4885RAB9A 2564/4885

“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.