SCHEMBL10130665

SCHEMBL10130665

CC(=O)c1ccc(-c2ccc(CC(C)C)cn2)s1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
HDAC1 Q13547 18/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL10161950 0.84 HDAC1 (0.49) HPGDSHDAC1CYP3A4CYP2A6CYP2C9
SCHEMBL17229340 0.77 CYP11B1 (0.52) HPGDSHDAC1CYP3A4CYP2A6
SCHEMBL13601833 0.76 CYP3A4 (0.50) HPGDSHDAC1CYP3A4CYP2A6CYP2C9
SCHEMBL10130657 0.76 CYP11B1 (0.56) HPGDSHDAC1CYP3A4CYP2A6CYP2C9
SCHEMBL6511673 0.76 HDAC1 (0.79) HPGDSHDAC1CYP3A4CYP2A6CYP2C9
SCHEMBL3502773 0.75 CYP3A4 (0.49) HPGDSHDAC1CYP3A4CYP2A6CYP2C9
SCHEMBL25636541 0.75 CCR1 (0.41) CYP2C9
SCHEMBL14446852 0.72 LMNA (0.43) CYP3A4CYP2C9
SCHEMBL10130808 0.71 CYP11B1 (0.52) HPGDS
SCHEMBL1356959 0.69 LMNA (0.70) CYP3A4CYP2A6CYP2C9CYP2C19

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 21 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-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-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-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US 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
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 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

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 HPGDS 703/4885HDAC1 200/4885CYP3A4 24/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 HPGDS 703/4885HDAC1 200/4885CYP3A4 24/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 HPGDS 703/4885HDAC1 200/4885CYP3A4 24/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 HPGDS 1929/4885HDAC1 600/4885CYP3A4 56/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 HPGDS 212/4885HDAC1 1335/4885CYP3A4 13/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 HPGDS 2456/4885HDAC1 47/4885CYP3A4 20/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 HPGDS 703/4885HDAC1 200/4885CYP3A4 24/4885

“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.