SCHEMBL562806

SCHEMBL562806

F[B-](F)(F)F.F[n+]1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37

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
SCHEMBL6382579 0.91
SCHEMBL28431559 0.65 TSHR (0.50) TSHR
SCHEMBL28837054 0.63 TSHR (0.47) TSHR
SCHEMBL29253986 0.63 TSHR (0.47) TSHR
SCHEMBL7265484 0.63 TSHR (0.39) TSHR
SCHEMBL8773850 0.61 CYP3A4 (0.32)
SCHEMBL27399560 0.61 HCAR2 (0.43) TSHR
SCHEMBL891486 0.61
Hydrochloric Acid SCHEMBL30362247 0.59 TSHR (0.41) TSHR
1,3,5-Trichlorobenzene SCHEMBL429512 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027362-B1 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES ABBOTT LAB (US) 2005-06-29 EP claimed
US-6727229-B2 MACROLIDE ANTIBIOTICS PLAY A THERAPEUTICALLY IMPORTANT ROLE, PARTICULARLY WITH THE EMERGENCE OF NEW PATHOGENS ENANTA PHARMACEUTICALS, INC. 2004-04-27 US claimed
WO-2004016634-A1 Novel 11,12-Substituted Lactone Ketolide Derivatives Having Antibacterial Activity ENANTA PHARMACEUTICALS, INC. (US) 2004-02-26 WO claimed
US-20040038915-A1 NOVEL 11,12-SUBSTITUTED LACTONE KETOLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY ENANTA PHARMACEUTICALS, INC. 2004-02-26 US claimed
US-6124269-A NOVEL ERYTHROMYCIN DERIVATIVE ANTIBIOTIC EFFECTIVE AGAINST GRAM-NEGATIVE BACTERIA AND HAVING LESS POTENTIAL FOR DEVELOPING BACTERIAL DRUG RESISTANCE ABBOTT LABORATORIES (US) 2000-09-26 US claimed
EP-1027362-A1 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES Abbott Laboratories (US) 2000-08-16 EP claimed
WO-1999021871-A1 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES ABBOTT LABORATORIES (US) 1999-05-06 WO claimed
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-20090149398-A1 6,11-3c-bicyclic 8a-azalide derivatives MERCK SHARP & DOHME CORP. 2009-06-11 US disclosed
EP-1501846-B1 TRICYCLIC MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LAB (US) 2009-03-18 EP disclosed
WO-1992012983-A1 A METHOD OF FLUORINATING BY USING N-FLUOROPYRIDINIUM PYRIDINE HEPTAFLUORODIBORATE ALLIED-SIGNAL INC. (US) 1992-08-06 WO disclosed
EP-0471755-A1 N-FLUOROPYRIDINIUM PYRIDINE HEPTAFLUORODIBORATE. ALLIED SIGNAL INC (US) 1992-02-26 EP disclosed
US-5086190-A Heating and reacting androstadienes with the complexes in solvent ALLIED-SIGNAL INC. (US) 1992-02-04 US disclosed
US-4996320-A Thyroid inhibitors SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-02-26 US disclosed
WO-1990013541-A1 N-FLUOROPYRIDINIUM PYRIDINE HEPTAFLUORODIBORATE ALLIED-SIGNAL INC. (US) 1990-11-15 WO disclosed
US-4935519-A Fluorination agent ALLIED-SIGNAL INC. (US) 1990-06-19 US disclosed
EP-0204535-A1 N-fluoropyridinium salt and process for preparing same SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-10 EP 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 (5 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 TSHR 4172/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 TSHR 4172/4885
US-20090149398-A1 6,11-3c-bicyclic 8a-azalide derivatives CYP3A7, SBDS, UGT2B7 TSHR 2731/4885
US-20040038915-A1 NOVEL 11,12-SUBSTITUTED LACTONE KETOLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY CYP51A1, SI, VIP TSHR 4286/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 TSHR 4172/4885

“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.