Sugi Predict

Sugi Predict / Compounds / SCHEMBL10162003

SCHEMBL10162003

SCHEMBL10162003

CCc1ccc(-c2cccnc2)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 15/20 0.70
▸ CYP2C19 P33261 9/20 0.70
▸ CYP2C9 P11712 9/20 0.70
▸ CYP3A4 P08684 9/20 0.70
▸ CYP2E1 P05181 8/20 0.70
▸ CYP2D6 P10635 7/20 0.70
▸ CYP2B6 P20813 7/20 0.70
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C8 P10632 1/20 0.52
▸ MKNK1 Q9BUB5 1/20 0.50
▸ MKNK2 Q9HBH9 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL3611935 0.82 CYP2A6 (1.00) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL3610698 0.82 CYP2A6 (1.00) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL13035339 0.82 CYP2A6 (0.70) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL10162016 0.81 CYP2A6 (0.46) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL3607664 0.81 CYP2A6 (1.00) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL3618712 0.81 CYP2A6 (1.00) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL10130586 0.81 CYP2A6 (0.64) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL13035377 0.81 CYP2A6 (0.64) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL13073859 0.81 CYP2A6 (0.64) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1
SCHEMBL13699254 0.81 CYP2A6 (0.59) CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1

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 22 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
WO-2012139891-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER CROPSCIENCE AG (DE) 2012-10-18 — — WO disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 — — US disclosed
EP-1506214-B1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARM INC (US) 2010-01-20 — — EP 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-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
WO-2008061189-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-05-22 — — WO 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
WO-2008014221-A2 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-01-31 — — WO disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 — — 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
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-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

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 CYP2A6 22/4885CYP2C19 21/4885CYP2C9 11/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 CYP2A6 22/4885CYP2C19 21/4885CYP2C9 11/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 CYP2A6 22/4885CYP2C19 21/4885CYP2C9 11/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 CYP2A6 150/4885CYP2C19 4/4885CYP2C9 1/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 CYP2A6 11/4885CYP2C19 2/4885CYP2C9 1/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 CYP2A6 130/4885CYP2C19 11/4885CYP2C9 9/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 CYP2A6 22/4885CYP2C19 21/4885CYP2C9 11/4885

“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.