SCHEMBL20010243

SCHEMBL20010243

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 5/20 0.37
▸ HPGD P15428 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ IMPDH1 P20839 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ STING1 Q86WV6 6/20 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
SCHEMBL14929114 0.81 HPGD (0.36) IMPDH2HPGDIMPDH1TAS1R3TAS1R1
SCHEMBL15044580 0.81 HPGD (0.36) IMPDH2HPGDIMPDH1TAS1R3TAS1R1
SCHEMBL20010244 0.81 HPGD (0.39) IMPDH2HPGDTAAR1IMPDH1TAS1R3
SCHEMBL20009991 0.78 ADORA2A (0.42) —
SCHEMBL10072472 0.77 IMPDH2 (0.34) IMPDH2HPGDTAAR1IMPDH1STING1
SCHEMBL20010001 0.74 HPGD (0.41) IMPDH2HPGDTAAR1IMPDH1TAS1R3
SCHEMBL14928617 0.73 HPGD (0.41) IMPDH2HPGDIMPDH1TAS1R3TAS1R1
SCHEMBL15044555 0.73 HPGD (0.41) IMPDH2HPGDIMPDH1TAS1R3TAS1R1
SCHEMBL20009827 0.73 HPGD (0.41) IMPDH2HPGDTAAR1IMPDH1TAS1R3
SCHEMBL20010166 0.73 HPGD (0.41) IMPDH2HPGDTAAR1IMPDH1TAS1R3

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-20180086807-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF PROTEINS ASSOCIATED WITH HUMAN DISEASE MODERNATX, INC. 2018-03-29 — — 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-20180086807-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF PROTEINS ASSOCIATED WITH HUMAN DISEASE POLRMT, POLM, POLN IMPDH2 1300/4885HPGD 3640/4885TAAR1 4465/4885

“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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