SCHEMBL10072472

SCHEMBL10072472

COC(C)[C@@]12CO[C@@H]([C@H](n3cnc4c(=O)[nH]c(C)nc43)O1)[C@@H]2C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.34
▸ IMPDH1 P20839 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ STING1 Q86WV6 8/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 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
SCHEMBL2717923 0.83 TAAR1 (0.38) IMPDH2IMPDH1HPGDTAAR1
SCHEMBL20010243 0.77 IMPDH2 (0.37) IMPDH2IMPDH1HPGDTAAR1STING1
SCHEMBL2720283 0.72 TAAR1 (0.35) IMPDH2HPGDTAAR1STING1
SCHEMBL14929368 0.71 HINT1 (0.45) HPGDSTING1PDE3BPDE3A
SCHEMBL14946309 0.71 HINT1 (0.45) HPGDSTING1PDE3BPDE3A
SCHEMBL12851721 0.71 IMPDH2 (0.37) IMPDH2IMPDH1HPGDSTING1PDE3B
SCHEMBL10072473 0.70 STING1 (0.32) TAAR1STING1
SCHEMBL16473371 0.70 HPGD (0.44) IMPDH2IMPDH1HPGDTAAR1STING1
SCHEMBL16473385 0.70 HPGD (0.44) IMPDH2IMPDH1HPGDTAAR1STING1
SCHEMBL16473387 0.70 HINT1 (0.36) IMPDH2IMPDH1HPGD

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-8268980-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-09-18 — — US disclosed
US-20120010393-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2012-01-12 — — 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-20120010393-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR IMPDH2 302/4885IMPDH1 231/4885HPGD 3858/4885

“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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