SCHEMBL4771766

SCHEMBL4771766

CC1(C)OB(c2ccc(NC(=O)c3ccncc3F)cc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
CXCR2 P25025 1/20 0.48
STIM1 Q13586 2/20 0.48
ORAI1 Q96D31 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TRPC1 P48995 1/20 0.46
TRPC3 Q13507 1/20 0.46
HTT P42858 1/20 0.45
CRACR2A Q9BSW2 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.42
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41

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
SCHEMBL8260460 0.87 CA1 (0.50) CA1CA2CA9CXCR2L3MBTL1
SCHEMBL14117307 0.85 STIM1 (0.44) CA1CA2CA9CXCR2STIM1
SCHEMBL16340470 0.83 MEN1 (0.63) CA1CA2CA9HTTNPC1
SCHEMBL28912971 0.79 ROCK2 (0.59) CA1CA2CA9CXCR2NPC1
SCHEMBL18027793 0.78 STIM1 (0.57) STIM1ORAI1L3MBTL1TRPC1TRPC3
SCHEMBL443510 0.77 MDM2 (0.56) CA1CA2CA9CXCR2RAB9A
SCHEMBL2357545 0.76 CA1 (0.54) CA1CA2CA9CXCR2HTT
SCHEMBL18993438 0.75 HTT (0.55) STIM1ORAI1L3MBTL1TRPC1TRPC3
SCHEMBL441557 0.75 RAB9A (0.62) HTTNPC1RAB9ALMNAMEN1
SCHEMBL29517828 0.75 RAB9A (0.62) HTTNPC1RAB9ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 EP disclosed
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 EP disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 US disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 US disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 US disclosed
EP-2086326-B1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 EP disclosed
US-8592486-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-11-26 US disclosed
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-09-06 US disclosed
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-09-06 US disclosed
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-09-06 US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 US disclosed
EP-1846372-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-12-17 EP disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
EP-1846372-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 EP disclosed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO disclosed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO disclosed
US-20060173006-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 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 (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-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CCR9 CA1 1847/4885CA2 438/4885CA9 262/4885
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 CA1 719/4885CA2 197/4885CA9 96/4885
US-20060173006-A1 Compounds for inflammation and immune-related uses CXCL8, CCR8, CXCR2 CA1 719/4885CA2 197/4885CA9 96/4885
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 CA1 719/4885CA2 197/4885CA9 96/4885

“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.