SCHEMBL1827783

SCHEMBL1827783

Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.59
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.42
CES2 O00748 2/20 0.42
CYP2C9 P11712 2/20 0.40
SCN9A Q15858 2/20 0.40
SCN5A Q14524 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAOB P27338 4/20 0.38
MPL P40238 1/20 0.37
PTGS1 P23219 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
SCHEMBL7875143 0.89 KIF11 (0.50) KIF11TSHRGLAPOLBGAA
SCHEMBL3784686 0.86 KIF11 (0.58) KIF11TSHRGLAPOLBGAA
SCHEMBL3787150 0.83 KIF11 (0.61) KIF11TSHRGLAPOLBGAA
SCHEMBL8099824 0.82 GAA (0.61) KIF11TSHRGLAPOLBGAA
SCHEMBL25011713 0.81 NPBWR1 (0.45) KIF11MAPK1CES2CYP2C9SCN9A
SCHEMBL28223315 0.81 KIF11 (0.61) KIF11TSHRCES2CYP2C9SCN9A
SCHEMBL2300881 0.81 KIF11 (0.54) KIF11TSHRCES2CYP2C9SCN9A
SCHEMBL16363206 0.80 KIF11 (0.51) KIF11TSHRGLAPOLBGAA
SCHEMBL2785468 0.80 KIF11 (0.57) KIF11TSHRMAPK1CYP3A4
SCHEMBL3788720 0.79 KIF11 (0.61) KIF11TSHRGLAPOLBGAA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 US disclosed
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 EP disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 EP disclosed
EP-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 EP disclosed
EP-1651232-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2007-06-06 EP disclosed
EP-1653968-A4 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS CORP (US) 2006-09-06 EP disclosed
EP-1653968-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS Synta Pharmaceuticals Corporation (US) 2006-05-10 EP disclosed
EP-1651232-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2006-05-03 EP disclosed
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs SYNTA PHARMACEUTICALS CORP. 2005-07-07 US disclosed
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. 2005-05-19 US disclosed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO disclosed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO disclosed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO disclosed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO 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 (4 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-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 KIF11 4291/4885TSHR 4256/4885GLA 68/4885
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs ORAI1, CACNA1C, CACNA1F KIF11 4063/4885TSHR 2915/4885GLA 361/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 KIF11 4291/4885TSHR 4256/4885GLA 68/4885
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders TPMT, PTPN3, FKBP3 KIF11 3941/4885TSHR 1873/4885GLA 484/4885

“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.