SCHEMBL9979889

SCHEMBL9979889

O=C(CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)NC/C=C/c1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLCD1 P51178 1/20 0.48
HLCS P50747 3/20 0.46
P2RY6 Q15077 7/20 0.45
P2RY2 P41231 2/20 0.45
FGF1 P05230 1/20 0.43
FGF2 P09038 1/20 0.43
VEGFA P15692 1/20 0.43
HPSE Q9Y251 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TPSAB1 Q15661 1/20 0.40
HINT1 P49773 1/20 0.39
CNR1 P21554 2/20 0.39

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
SCHEMBL14406729 1.00 PLCD1 (0.48) PLCD1HLCSP2RY6P2RY2FGF1
SCHEMBL12994951 1.00 PLCD1 (0.48) PLCD1HLCSP2RY6P2RY2FGF1
SCHEMBL14406723 0.94 PLCD1 (0.47) PLCD1HLCSP2RY6P2RY2FGF1
SCHEMBL20129499 0.92 PLCD1 (0.49) PLCD1HLCSFGF1FGF2VEGFA
SCHEMBL29426309 0.91 PLCD1 (0.49) PLCD1HLCSFGF1FGF2VEGFA
SCHEMBL12994950 0.90 KRAS (0.54) HLCSP2RY6P2RY2F2
SCHEMBL13050628 0.90 KRAS (0.54) HLCSP2RY6P2RY2F2
SCHEMBL29627228 0.90 PLCD1 (0.47) PLCD1HLCSFGF1FGF2VEGFA
SCHEMBL13050995 0.89 HLCS (0.51) PLCD1HLCSP2RY6P2RY2FGF1
SCHEMBL12994968 0.89 HLCS (0.51) PLCD1HLCSP2RY6P2RY2FGF1

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-20120156751-A1 PREPARATION AND ISOLATION OF 5' CAPPED MRNA APPLIED BIOSYSTEMS, LLC (US) 2012-06-21 US disclosed
US-20100304389-A1 Preparation And Isolation of 5' Capped mRNA Life Technologies Corporation (US) 2010-12-02 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 (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-20100304389-A1 Preparation And Isolation of 5' Capped mRNA RNGTT, RNMT, NSUN2 PLCD1 1718/4885HLCS 1803/4885P2RY6 4160/4885
US-20120156751-A1 PREPARATION AND ISOLATION OF 5' CAPPED MRNA RNGTT, RNMT, NSUN2 PLCD1 1718/4885HLCS 1803/4885P2RY6 4160/4885

“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.