SCHEMBL17617320

SCHEMBL17617320

C[C@@]1(Cl)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)OC1(O)c1ccc2c(N)ncnn12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ RIPK1 Q13546 6/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GAPDH P04406 1/20 0.34
▸ TNK2 Q07912 4/20 0.33
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL17615384 0.92 RIPK1 (0.35) RIPK1TNK2
SCHEMBL24791260 0.90 ALDH1A1 (0.36) ALDH1A1MAPTRIPK1MEN1USP2
SCHEMBL14996153 0.90 ALDH1A1 (0.36) ALDH1A1MAPTRIPK1MEN1USP2
SCHEMBL881372 0.90 ALDH1A1 (0.36) ALDH1A1MAPTRIPK1MEN1USP2
SCHEMBL10171966 0.89 ALDH1A1 (0.36) ALDH1A1MAPTRIPK1MEN1USP2
SCHEMBL17129843 0.88 MAPT (0.35) ALDH1A1MAPTRIPK1MEN1USP2
SCHEMBL16480683 0.85 POLB (0.35) ALDH1A1MAPTRIPK1MEN1USP2
SCHEMBL25914985 0.84 ALDH1A1 (0.38) ALDH1A1RIPK1TNK2
SCHEMBL18697905 0.84 ALDH1A1 (0.38) ALDH1A1RIPK1TNK2
SCHEMBL24168927 0.84 ALDH1A1 (0.35) ALDH1A1RIPK1MEN1USP2POLB

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-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC 2016-03-24 — — 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-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION SLC28A2, SLC28A1, SLC29A2 ALDH1A1 1085/4885MAPT 450/4885RIPK1 4858/4885

“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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