SCHEMBL25972011

SCHEMBL25972011

CC[C@H]1O[C@@H](n2cc(/C=C/C(=O)NCCCCCCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)CC1O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.49
TK1 P04183 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX12 P18054 1/20 0.44
ADRA1A P35348 1/20 0.44
TK2 O00142 1/20 0.42

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
SCHEMBL16772882 0.93 TYMS (0.49) TYMSTK1CYP1A2CYP3A4TSHR
SCHEMBL24638622 0.88 TK1 (0.62) TYMSTK1CYP1A2CYP3A4TSHR
SCHEMBL20456356 0.88 TK1 (0.62) TYMSTK1CYP1A2CYP3A4TSHR
SCHEMBL14252429 0.88 TK1 (0.62) TYMSTK1CYP1A2CYP3A4TSHR
SCHEMBL13586776 0.86 TK1 (0.55) TYMSTK1CYP1A2CYP3A4TSHR
SCHEMBL12292644 0.86 TK1 (0.55) TYMSTK1CYP1A2CYP3A4TSHR
SCHEMBL13586777 0.86 TK1 (0.55) TYMSTK1CYP1A2CYP3A4TSHR
SCHEMBL12292640 0.86 TK1 (0.55) TYMSTK1CYP1A2CYP3A4TSHR
SCHEMBL13403287 0.85 TK1 (0.58) TYMSTK1CYP1A2CYP3A4TSHR
SCHEMBL13403300 0.85 TK1 (0.56) TYMSTK1CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 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-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT TYMS 14/4885TK1 166/4885CYP1A2 4059/4885

“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.