SCHEMBL5424477

SCHEMBL5424477

Cc1ccc(C)c(C)c1C.N[C@H]1CCCC[C@@H]1NS(=O)(=O)C(F)(F)F.[Ru]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.34
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
SYK P43405 2/20 0.32
KCNH2 Q12809 2/20 0.32
HDAC4 P56524 1/20 0.32
KAT2B Q92831 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
TP53 P04637 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL5429405 1.00 LMNA (0.37) LMNAALDH1A1PTGS1PTGS2MCOLN3
SCHEMBL5424514 0.93 TAS1R3 (0.38) LMNAALDH1A1PTGS1PTGS2SYK
SCHEMBL5416203 0.93 TAS1R3 (0.38) LMNAALDH1A1PTGS1PTGS2SYK
SCHEMBL5413840 0.91 HTT (0.33) LMNAALDH1A1KDM1A
SCHEMBL5424758 0.91 HTT (0.33) LMNAALDH1A1KDM1A
Hexamethylbenzene SCHEMBL5415733 0.90 HCRTR2 (0.33) LMNAPTGS1PTGS2HDAC4
Hexamethylbenzene SCHEMBL5430986 0.90 HCRTR2 (0.33) LMNAPTGS1PTGS2HDAC4
O-Xylene SCHEMBL5423466 0.89 KAT2B (0.36) LMNAALDH1A1PTGS1PTGS2KAT2B
O-Xylene SCHEMBL5421596 0.89 KAT2B (0.36) LMNAALDH1A1PTGS1PTGS2KAT2B
P-Xylene SCHEMBL5420017 0.89 TSHR (0.40) ALDH1A1PTGS1PTGS2MCOLN3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268250-B2 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2007-09-11 US disclosed
US-20040176616-A1 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA 2004-09-09 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 (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-20040176616-A1 Process for producing optically active compound OSTC, NPEPPS, PPOX LMNA 4034/4885ALDH1A1 3566/4885PTGS1 2915/4885

“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.