SCHEMBL1828958

SCHEMBL1828958

Nc1cc(C(F)(F)F)c(-c2ccccc2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.45
▸ GLA P06280 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CFTR P13569 2/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ S1PR1 P21453 2/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MET P08581 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 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
SCHEMBL21496766 0.90 ACHE (0.46) ACHEGLAPOLBGAATSHR
SCHEMBL13385831 0.85 GAA (0.53) GLAPOLBGAATSHRHSD17B10
SCHEMBL27635467 0.84 ACHE (0.43) ACHEGLAPOLBGAATSHR
SCHEMBL31026737 0.81 ACHE (0.43) ACHEGLAPOLBGAATSHR
SCHEMBL22607168 0.81 GLA (0.50) GLAPOLBGAATSHRHSD17B10
SCHEMBL13385803 0.81 GLA (0.50) GLAPOLBGAATSHRHSD17B10
SCHEMBL13385855 0.81 GLA (0.44) GLAPOLBGAATSHRCFTR
SCHEMBL13647051 0.79 S1PR1 (0.40) ACHEGLAPOLBGAATSHR
SCHEMBL29143031 0.78 GLA (0.43) GLAPOLBGAATSHRHSD17B10
SCHEMBL3789296 0.77 TSHR (0.53) ACHEGLAPOLBGAATSHR

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 12 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-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-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-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 ACHE 3158/4885GLA 68/4885POLB 4276/4885
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs ORAI1, CACNA1C, CACNA1F ACHE 680/4885GLA 361/4885POLB 4648/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 ACHE 3158/4885GLA 68/4885POLB 4276/4885
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 ACHE 3394/4885GLA 484/4885POLB 4286/4885

“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.

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