SCHEMBL10130780

SCHEMBL10130780

CC(C)Cc1ccc(-c2ccc(F)nc2)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
CYP2A6 P11509 6/20 0.40
CYP2C19 P33261 4/20 0.40
CYP2B6 P20813 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2E1 P05181 1/20 0.39
RORC P51449 1/20 0.38
DYRK1A Q13627 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
HTR3A P46098 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PRKCI P41743 1/20 0.33

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
SCHEMBL19493490 0.84 SLC5A1 (0.38) SLC5A1SLC5A2CYP2A6CYP2C19CYP2B6
SCHEMBL10162586 0.82 GRIN2B (0.44) SLC5A1SLC5A2CYP2A6CYP2C19CYP2B6
SCHEMBL13514014 0.79 CYP2A6 (0.41) SLC5A1SLC5A2CYP2A6CYP2C19CYP2B6
SCHEMBL10162540 0.76 CYP2A6 (0.53) CYP2A6CYP2C19CYP2B6CYP3A4CYP2E1
SCHEMBL13067416 0.76 HSD17B1 (0.40) SLC5A1SLC5A2CYP2A6CYP2C19CYP2B6
SCHEMBL10130683 0.76 RORC (0.49) SLC5A2CYP2A6CYP2C19CYP2B6CYP3A4
SCHEMBL26497460 0.73 IKBKB (0.41) CYP2A6CYP2C19CYP2B6CYP3A4CYP2E1
SCHEMBL14227274 0.73 CYP2A6 (0.43) CYP2A6CYP2C19CYP2B6CYP3A4CYP2E1
SCHEMBL10130586 0.73 CYP2A6 (0.64) SLC5A2CYP2A6CYP2C19CYP2B6CYP3A4
SCHEMBL13749525 0.73 CYP2A6 (0.58) CYP2A6CYP2C19CYP2B6CYP3A4CYP2E1

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
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-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-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-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-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-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 SLC5A1 66/4885SLC5A2 167/4885CYP2A6 22/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 SLC5A1 66/4885SLC5A2 167/4885CYP2A6 22/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 SLC5A1 66/4885SLC5A2 167/4885CYP2A6 22/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 SLC5A1 508/4885SLC5A2 642/4885CYP2A6 150/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 SLC5A1 297/4885SLC5A2 276/4885CYP2A6 11/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 SLC5A1 471/4885SLC5A2 473/4885CYP2A6 130/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 SLC5A1 66/4885SLC5A2 167/4885CYP2A6 22/4885

“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.