SCHEMBL5422602

SCHEMBL5422602

CS(=O)(=O)N[C@H]1CCCC[C@@H]1N.Cc1cc(C)c(C)c(C)c1.[Ru]

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
TAS1R2 Q8TE23 4/20 0.38
LMNA P02545 1/20 0.36
SYK P43405 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HTR1A P08908 1/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
ALDH1A1 P00352 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL5415725 1.00 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2LMNASYK
SCHEMBL5416681 0.92 SYK (0.41) TAS1R3TAS1R1TAS1R2LMNASYK
SCHEMBL5422332 0.92 SYK (0.41) TAS1R3TAS1R1TAS1R2LMNASYK
SCHEMBL5423507 0.91 LMNA (0.36) LMNASYKSMN1; SMN2ALDH1A1
SCHEMBL5416023 0.91 LMNA (0.36) LMNASYKSMN1; SMN2ALDH1A1
SCHEMBL5423373 0.89 ALDH1A1 (0.39) LMNASYKSMN1; SMN2ALDH1A1
SCHEMBL5413956 0.89 ALDH1A1 (0.39) LMNASYKSMN1; SMN2ALDH1A1
Hexamethylbenzene SCHEMBL5418276 0.88 LMNA (0.35) LMNASMN1; SMN2ALDH1A1
Hexamethylbenzene SCHEMBL5418228 0.88 LMNA (0.35) LMNASMN1; SMN2ALDH1A1
SCHEMBL5418209 0.87 ALDH1A1 (0.43) LMNASMN1; SMN2TP53CASP1ALDH1A1

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 TAS1R3 4506/4885TAS1R1 4559/4885TAS1R2 4612/4885

“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.