SCHEMBL5887639

SCHEMBL5887639

Cc1cc(C)c(S(=O)(=O)C(C#N)CCN)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
RAPGEF4 Q8WZA2 5/20 0.34
NR3C1 P04150 6/20 0.33
PGR P06401 4/20 0.33
NR3C2 P08235 4/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
GFER P55789 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4821971 0.71 F2 (0.43) F2PRSS1PRSS2PRSS3CA1
SCHEMBL6099983 0.69 MEN1 (0.35) F2PRSS1PRSS2PRSS3CA1
SCHEMBL4746880 0.66 NR3C1 (0.36) F2PRSS1PRSS2PRSS3CA1
SCHEMBL10050619 0.66 L3MBTL1 (0.55) F2PRSS1PRSS2PRSS3CA1
SCHEMBL4291314 0.65 F2 (0.44) F2PRSS1PRSS2PRSS3CA1
Water SCHEMBL458685 0.63 CA1 (0.56) F2PRSS1PRSS2PRSS3CA1
SCHEMBL27271507 0.63 CA1 (0.45) F2PRSS1PRSS2PRSS3CA1
Hydroxyamine SCHEMBL259333 0.62 CA1 (0.54) F2PRSS1PRSS2PRSS3CA1
SCHEMBL17101162 0.61 L3MBTL1 (0.59) F2PRSS1PRSS2PRSS3CA1
SCHEMBL113366 0.61 CA1 (0.52) F2PRSS1PRSS2PRSS3CA1

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
US-6982351-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor CELLGATE, INC. (US) 2006-01-03 US disclosed
EP-1453787-A1 CYCLOALKYL SUBSTITUTED POLYAMINES FOR CANCER THERAPY AND METHODS OF SYNTHESIS THEREFOR SLIL Biomedical Corporation (US) 2004-09-08 EP disclosed
US-20030195377-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor SLIL BIOMEDICAL CORPORATION 2003-10-16 US disclosed
WO-2003050072-A1 CYCLOALKYL SUBSTITUTED POLYAMINES FOR CANCER THERAPY AND METHODS OF SYNTHESIS THEREFOR SLIL BIOMEDICAL CORPORATION (US) 2003-06-19 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-20030195377-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PAICS, DHPS, DHFR F2 3291/4885PRSS1 1573/4885PRSS2 3513/4885

“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.