SCHEMBL21389670

SCHEMBL21389670

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(-c4ccccc4)c(=O)[nH]c3=O)CC2OP(=O)(OCCC#N)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(OC)C2OC(=O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.38
▸ P2RX3 P56373 2/20 0.38
▸ P2RX4 Q99571 2/20 0.38
▸ P2RX2 Q9UBL9 2/20 0.38
▸ TYMS P04818 3/20 0.37
▸ P2RX6 O15547 1/20 0.35
▸ P2RX1 P51575 1/20 0.35
▸ P2RX5 Q93086 1/20 0.35
▸ P2RY11 Q96G91 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.34
▸ P2RY12 Q9H244 3/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ GAPDH P04406 1/20 0.33
▸ RNASE1 P07998 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ DTYMK P23919 1/20 0.33

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
SCHEMBL19777696 1.00 TYMP (0.38) TYMPP2RX3P2RX4P2RX2TYMS
SCHEMBL21389678 0.96 TYMP (0.38) TYMPP2RX3P2RX4P2RX2TYMS
SCHEMBL19777694 0.96 TYMP (0.38) TYMPP2RX3P2RX4P2RX2TYMS
SCHEMBL19780271 0.92 P2RX3 (0.41) P2RX3P2RX4P2RX2TYMSP2RX6
SCHEMBL19777697 0.92 P2RX3 (0.41) P2RX3P2RX4P2RX2TYMSP2RX6
SCHEMBL19780111 0.92 P2RX3 (0.41) P2RX3P2RX4P2RX2TYMSP2RX6
SCHEMBL21389679 0.92 P2RX3 (0.41) P2RX3P2RX4P2RX2TYMSP2RX6
SCHEMBL21389685 0.88 P2RX3 (0.34) TYMPP2RX3P2RX4P2RX2TYMS
SCHEMBL21389676 0.88 P2RX3 (0.41) P2RX3P2RX4P2RX2TYMSP2RX6
SCHEMBL27216216 0.80 KDM4E (0.39) TYMPP2RY12GAPDH

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-20190292215-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE SPEROVIE BIOSCIENCES, INC. 2019-09-26 — — 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-20190292215-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE STING1, CGAS, MYD88 TYMP 1870/4885P2RX3 222/4885P2RX4 612/4885

“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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