SCHEMBL10159490

SCHEMBL10159490

CC[C@]1(CO)O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 8/20 0.50
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
ALB P02768 1/20 0.46
PKM P14618 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL10159489 0.94 TK1 (0.53) TK1LMNATSHRALBPKM
SCHEMBL26267981 0.94 TK1 (0.53) TK1LMNATSHRALBPKM
SCHEMBL26267988 0.93 TK1 (0.50) TK1ALBPKM
SCHEMBL26268570 0.93 TK1 (0.50) TK1ALBPKM
SCHEMBL26267996 0.90 TK1 (0.49) TK1LMNATSHRALBPKM
SCHEMBL26268598 0.90 TK1 (0.49) TK1LMNATSHRALBPKM
SCHEMBL24695063 0.88 TK1 (0.53) TK1ALBPKM
SCHEMBL10159482 0.88 TK1 (0.53) TK1ALBPKM
SCHEMBL31653281 0.88 TK1 (0.53) TK1ALBPKM
SCHEMBL26268088 0.88 TK1 (0.47) TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080457-A1 5' PHOSPHATE MIMICS BANK OF AMERICA, N.A. 2015-03-19 US disclosed
US-8927513-B2 5′ phosphate mimics ALNYLAM PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20120157511-A1 5' PHOSPHATE MIMICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-06-21 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-20120157511-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT TK1 180/4885LMNA 2073/4885TSHR 3336/4885
US-20150080457-A1 5' PHOSPHATE MIMICS NSUN2, RNGTT, RNMT TK1 182/4885LMNA 2072/4885TSHR 3344/4885

“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.