SCHEMBL16480684

SCHEMBL16480684

C[C@]1(Cl)C(c2ccc3c(N)ncnn23)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GAPDH P04406 1/20 0.36
▸ P2RX3 P56373 1/20 0.34
▸ P2RX4 Q99571 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ HSPA2 P54652 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ DOT1L Q8TEK3 1/20 0.33
▸ HRAS P01112 1/20 0.33
▸ POLRMT O00411 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
SCHEMBL17615383 0.91 RIPK1 (0.34) P2RX3P2RX4P2RX2RIPK1EGFR
SCHEMBL881460 0.90 ALDH1A1 (0.38) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL17129844 0.88 ALDH1A1 (0.36) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL10148679 0.81 ALDH1A1 (0.38) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL16480685 0.80 MEN1 (0.46) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL882318 0.80 MEN1 (0.46) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL17617320 0.80 ALDH1A1 (0.36) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL20059148 0.79 NPC1 (0.38) ALDH1A1POLBRIPK1DOT1LPOLRMT
SCHEMBL882554 0.78 MEN1 (0.38) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL10149693 0.78 MEN1 (0.38) ALDH1A1POLBMEN1USP2KMT2A

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-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC 2016-03-24 — — US disclosed
WO-2014058801-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS, INC. (US) 2014-04-17 — — WO 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-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION SLC28A2, SLC28A1, SLC29A2 ALDH1A1 1085/4885POLB 133/4885MEN1 4882/4885

“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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