SCHEMBL8262245

SCHEMBL8262245

Cc1ccc(-c2nccs2)cc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
ADRB2 P07550 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CHEK1 O14757 1/20 0.43
CYP2A6 P11509 1/20 0.42
SMPD3 Q9NY59 1/20 0.41
MAPK14 Q16539 1/20 0.41
SMO Q99835 1/20 0.41
HDAC2 Q92769 2/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
SRC P12931 2/20 0.39
SYK P43405 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ABL1 P00519 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL468039 0.84 PDPK1 (0.52) PDPK1ADRB2LOXL2CHEK1CYP2A6
SCHEMBL8260382 0.79 PDPK1 (0.47) PDPK1ADRB2LOXL2CHEK1CYP2A6
SCHEMBL3247666 0.79 LOXL2 (0.50) PDPK1ADRB2LOXL2CHEK1CYP2A6
SCHEMBL1460043 0.79 PDPK1 (0.47) PDPK1ADRB2LOXL2CHEK1CYP2A6
SCHEMBL29950845 0.77 PDPK1 (0.44) PDPK1ADRB2LOXL2CHEK1CYP2A6
SCHEMBL1830952 0.76 ALDH1A1 (0.53) PDPK1ADRB2LOXL2CHEK1CYP2A6
SCHEMBL3181385 0.76 PDPK1 (0.47) PDPK1ADRB2LOXL2CHEK1CYP2A6
SCHEMBL28762318 0.76 PDPK1 (0.47) PDPK1ADRB2LOXL2CHEK1CYP2A6
SCHEMBL27681353 0.76 ADRB2 (0.46) PDPK1ADRB2LOXL2CHEK1CYP2A6
SCHEMBL722198 0.74 PDPK1 (0.77) PDPK1ADRB2LOXL2CYP2A6SMPD3

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 8 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
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-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
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 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 (2 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-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 PDPK1 2955/4885ADRB2 1540/4885LOXL2 675/4885
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 PDPK1 2955/4885ADRB2 1540/4885LOXL2 675/4885

“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.