SCHEMBL4819288

SCHEMBL4819288

Cc1cc(C)c(S(=O)(=O)NC(C)(C)C)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
MMP1 P03956 1/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NR2F2 P24468 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.47

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
SCHEMBL16261301 0.84 CYP3A4 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL4736745 0.84 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL28199606 0.82 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL16261206 0.80 ALDH1A1 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL12285360 0.77 MAPT (0.53) LMNASMN1; SMN2POLBCYP3A4MEN1
SCHEMBL16261204 0.76 ALDH1A1 (0.54) LMNASMN1; SMN2HTTPOLBGAA
SCHEMBL813077 0.76 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL123883 0.74 CA1 (1.00) CA1CA2MMP1MMP2MMP9
SCHEMBL12353346 0.74 CA1 (0.63) CA1CA2MMP1MMP2MMP9
SCHEMBL812692 0.74 CA1 (0.63) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 US disclosed
US-7453011-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PROGEN PHARMACEUTICALS, INC. (US) 2008-11-18 US disclosed
US-20070287754-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PROGEN PHARMACEUTICALS, INC. 2007-12-13 US disclosed
US-7235695-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor SLIL BIOMEDICAL CORPORATION 2007-06-26 US disclosed
US-20060030735-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor CELLGATE, INC. (US) 2006-02-09 US disclosed
US-6982351-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor CELLGATE, INC. (US) 2006-01-03 US disclosed
US-20030195377-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor SLIL BIOMEDICAL CORPORATION 2003-10-16 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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC CA1 1477/4885CA2 1766/4885MMP1 4739/4885
US-20030195377-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PAICS, DHPS, DHFR CA1 2456/4885CA2 3641/4885MMP1 3282/4885
US-20060030735-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PAICS, DHPS, DHFR CA1 2456/4885CA2 3641/4885MMP1 3282/4885
US-20070287754-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PAICS, DHPS, DHFR CA1 2456/4885CA2 3641/4885MMP1 3282/4885

“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.