SCHEMBL276960

SCHEMBL276960

CC(C)c1ccc2c(c1)SCN2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 3/20 0.33
KIF11 P52732 2/20 0.33
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
SCN4A P35499 1/20 0.32
RAB9A P51151 1/20 0.32
RNASEH1 O60930 1/20 0.32
PIM1 P11309 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
SCHEMBL30467250 0.72 SNCA (0.50) LMNAHPGDGFERHSD17B10TRPA1
SCHEMBL28470729 0.72 SNCA (0.50) LMNAHPGDGFERHSD17B10TRPA1
SCHEMBL15586614 0.72 EPHX2 (0.63) LMNAHPGDGFERHSD17B10ALDH1A1
SCHEMBL8349080 0.69 OGA (0.39) LMNAHPGDGFERHSD17B10TRPA1
SCHEMBL15341645 0.69 GAA (0.44) LMNAHPGDGFERHSD17B10TRPA1
SCHEMBL24371401 0.69 LMNA (0.39) LMNAHPGDGFERHSD17B10TRPA1
SCHEMBL8863082 0.69 MAOA (0.52) LMNAHPGDHSD17B10GAAALDH1A1
SCHEMBL8472050 0.69 SNCA (0.38) GAAALDH1A1NPC1RAB9AMEN1
SCHEMBL8471378 0.69 AHR (0.37) GAAMEN1MAPTKMT2AHTR1D
SCHEMBL8863075 0.69 KIF11 (0.37) LMNAHPGDHSD17B10GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
EP-2802576-B1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-27 EP disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
US-8133513-B2 Solid preparation having improved solubility SHIONOGI & CO., LTD. (JP) 2012-03-13 US disclosed
US-8133513-B2 Solid preparation having improved solubility SHIONOGI & CO., LTD. (JP) 2012-03-13 US disclosed
US-20090105312-A1 SOLID PREPARATION HAVING IMPROVED SOLUBILITY SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
US-20090105312-A1 SOLID PREPARATION HAVING IMPROVED SOLUBILITY SHIONOGI & CO., LTD. (JP) 2009-04-23 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-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS LMNA 3626/4885HPGD 1755/4885GFER 4522/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 LMNA 2696/4885HPGD 3623/4885GFER 3611/4885
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES ACSS2, ACACB, ADCY2 LMNA 4337/4885HPGD 3218/4885GFER 654/4885
US-20090105312-A1 SOLID PREPARATION HAVING IMPROVED SOLUBILITY NUDT1, PDE7A, SLC7A1 LMNA 1838/4885HPGD 75/4885GFER 1630/4885

“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.