SCHEMBL14440208

SCHEMBL14440208

CCCCOC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](OC(=O)c2ccccc2)[C@H](OCCCC)[C@@H](OCCCC)[C@@H]1OCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 3/20 0.51
▸ P2RX4 Q99571 3/20 0.51
▸ P2RX2 Q9UBL9 3/20 0.51
▸ TYMP P19971 1/20 0.46
▸ ENPP1 P22413 1/20 0.45
▸ P2RX1 P51575 2/20 0.43
▸ P2RX7 Q99572 2/20 0.43
▸ P2RY11 Q96G91 2/20 0.43
▸ P2RX6 O15547 1/20 0.43
▸ P2RX5 Q93086 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40

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
SCHEMBL14429060 0.86 P2RX3 (0.52) P2RX3P2RX4P2RX2TYMPENPP1
SCHEMBL14440925 0.84 TYMP (0.42) TYMPLMNAALDH1A1TP53MAPT
SCHEMBL14440209 0.83 TYMP (0.50) P2RX3P2RX2TYMPAHCYSLC29A1
SCHEMBL9002254 0.83 P2RX3 (0.60) P2RX3P2RX4P2RX2TYMPENPP1
SCHEMBL9141432 0.83 P2RX3 (0.60) P2RX3P2RX4P2RX2TYMPENPP1
SCHEMBL9002261 0.83 P2RX3 (0.60) P2RX3P2RX4P2RX2TYMPENPP1
SCHEMBL14428960 0.83 P2RX3 (0.59) P2RX3P2RX4P2RX2TYMPENPP1
SCHEMBL14440203 0.82 TYMP (0.43) TYMPLMNAALDH1A1TP53MAPT
SCHEMBL972685 0.78 LMNA (0.59) P2RX3P2RX4P2RX2TYMPENPP1
SCHEMBL21877966 0.78 LMNA (0.61) P2RX3P2RX4P2RX2TYMPENPP1

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-20070185063-A1 Seven-membered ring nucleosides IDENIX PHARMACEUTICALS, INC. 2007-08-09 — — 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-20070185063-A1 Seven-membered ring nucleosides NSUN2, NSUN3, HAVCR2 P2RX3 1556/4885P2RX4 1633/4885P2RX2 2479/4885

“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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