SCHEMBL8260460

SCHEMBL8260460

Cc1cnccc1C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA9 Q16790 6/20 0.50
TYK2 P29597 1/20 0.46
CXCR2 P25025 1/20 0.45
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
CYP11B2 P19099 1/20 0.42
NAMPT P43490 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
ROCK2 O75116 1/20 0.40

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
SCHEMBL4771766 0.87 CA1 (0.49) CA1CA2CA9CXCR2LMNA
SCHEMBL28912971 0.80 ROCK2 (0.59) CA1CA2CA9CXCR2LMNA
SCHEMBL8186434 0.80 CA1 (0.49) CA1CA2CA9CXCR2CA12
SCHEMBL443510 0.78 MDM2 (0.56) CA1CA2CA9CXCR2LMNA
SCHEMBL18343194 0.77 BRAF (0.47) TYK2CYP11B2NAMPTALDH1A1HTT
SCHEMBL441557 0.76 RAB9A (0.62) LMNAALDH1A1HTTPDGFRBKDR
SCHEMBL29517828 0.76 RAB9A (0.62) LMNAALDH1A1HTTPDGFRBKDR
SCHEMBL13322124 0.76 TYK2 (0.67) TYK2CYP11B2NAMPTALDH1A1HTT
SCHEMBL706622 0.75 CA1 (0.57) CA1CA2CA9CXCR2CA12
SCHEMBL20660907 0.75 CA1 (0.49) CA1CA2CA9CXCR2CA12

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 4 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-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 (1 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-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.