SCHEMBL3618062

SCHEMBL3618062

Cc1cn([C@H]2C[C@H](SSC(Cl)(Cl)Cl)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 1.00
LMNA P02545 2/20 0.58
TSHR P16473 2/20 0.58
ALB P02768 1/20 0.58
PKM P14618 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
CYP2D6 P10635 1/20 0.58

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
SCHEMBL3618057 1.00 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL13464002 1.00 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL3618060 1.00 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL11959639 0.91 TK1 (0.89) TK1LMNATSHRALBPKM
SCHEMBL4023603 0.88 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL4023606 0.88 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL4023601 0.88 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL11959617 0.85 TK1 (0.83) TK1LMNATSHRALBPKM
SCHEMBL3616931 0.85 TK1 (1.00) TK1LMNATSHRALBPKM
SCHEMBL3616937 0.85 TK1 (1.00) TK1LMNATSHRALBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236945-B2 Process for preparing disulfides and thiosulphinates and compounds prepared Universite Joseph Fourier (Grenoble1) (FR) 2012-08-07 US claimed
US-20100075917-A1 THIONUCLEOSIDES AND PHARMACEUTICAL APPLICATIONS UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2010-03-25 US claimed
US-20090264637-A1 PROCESS FOR PREPARING DISULPHIDES AND THIOSULPHINATES AND COMPOUNDS PREPARED UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2009-10-22 US claimed
US-8236945-B2 Process for preparing disulfides and thiosulphinates and compounds prepared Universite Joseph Fourier (Grenoble1) (FR) 2012-08-07 US disclosed
US-20100075917-A1 THIONUCLEOSIDES AND PHARMACEUTICAL APPLICATIONS UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2010-03-25 US disclosed
US-20090264637-A1 PROCESS FOR PREPARING DISULPHIDES AND THIOSULPHINATES AND COMPOUNDS PREPARED UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2009-10-22 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 (2 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-20090264637-A1 PROCESS FOR PREPARING DISULPHIDES AND THIOSULPHINATES AND COMPOUNDS PREPARED TST, STS, MSR1 TK1 2047/4885LMNA 3676/4885TSHR 153/4885
US-20100075917-A1 THIONUCLEOSIDES AND PHARMACEUTICAL APPLICATIONS TYMP, PNP, NSUN2 TK1 19/4885LMNA 788/4885TSHR 554/4885

“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.