SCHEMBL2851017

SCHEMBL2851017

CCN(CC)CCCNS(=O)(=O)c1cccc(C(N)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.52
CYP2C19 P33261 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
GFER P55789 1/20 0.51
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
AKR1C3 P42330 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEP1B Q16820 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2848724 0.93 ALDH1A1 (0.60) CYP2C19ALDH1A1MAPK1GFERAKR1C3
SCHEMBL2859691 0.86 CYP2C19 (0.55) CYP2C19ALDH1A1MAPK1AKR1C3MEP1B
SCHEMBL17713153 0.85 CYP2C19 (0.53) CYP2C19ALDH1A1MAPK1PDK1PDK2
SCHEMBL8798995 0.84 LMNA (0.55) CYP2C19ALDH1A1MAPK1PDK1PDK2
SCHEMBL2851020 0.82 USP2 (0.60) BRAFUSP2PDK1PDK2PDK3
SCHEMBL2850679 0.82 CYP2C19 (0.53) CYP2C19ALDH1A1MAPK1AKR1C3MEP1B
SCHEMBL5034887 0.82 CYP2C19 (0.76) CYP2C19ALDH1A1MAPK1AKR1C3MEP1B
SCHEMBL2850555 0.80 LMNA (0.53) CYP2C19ALDH1A1MAPK1AKR1C3CA1
SCHEMBL12760664 0.80 SIGMAR1 (0.59) USP2ALDH1A1MAPK1GFERSIGMAR1
SCHEMBL16359721 0.79 USP2 (0.69) USP2ALDH1A1MAPK1GFERCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 BRAF 738/4885CYP2C19 1755/4885USP2 4508/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 BRAF 738/4885CYP2C19 1755/4885USP2 4508/4885

“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.