SCHEMBL17791202

SCHEMBL17791202

C=C1C(I)=CN(C2C[C@@H](O)C(CO)O2)C(=O)N1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 3/20 0.43
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ TK2 O00142 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALOX12 P18054 1/20 0.36
▸ ADRA1A P35348 1/20 0.36

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
SCHEMBL16234376 0.75 TK1 (0.48) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL13169449 0.71 TK1 (0.39) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL16864394 0.69 TK1 (0.52) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL12957504 0.69 TK1 (0.52) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL13017179 0.69 TK1 (0.52) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL21560996 0.69 TK1 (0.44) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL13169197 0.68 TK1 (0.43) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL19120634 0.68 TK1 (0.50) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL19107434 0.68 TK1 (0.50) TK1LMNASMN1; SMN2ADRB1DNMT1
SCHEMBL10281080 0.68 TK1 (0.59) TK1LMNASMN1; SMN2ADRB1DNMT1

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-20160152573-A1 BIOORTHOGONAL METHODS AND COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-06-02 — — 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-20160152573-A1 BIOORTHOGONAL METHODS AND COMPOUNDS DDT, DPYD, DNPEP TK1 90/4885LMNA 3530/4885SMN1; SMN2 3850/4885

“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.

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