SCHEMBL16473371

SCHEMBL16473371

CCC1(CC)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@@H](O)[C@@H]1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ HINT1 P49773 3/20 0.42
▸ IMPDH2 P12268 6/20 0.41
▸ IMPDH1 P20839 2/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ NT5E P21589 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.37
▸ STING1 Q86WV6 1/20 0.37

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
SCHEMBL16473385 1.00 HPGD (0.44) HPGDHINT1IMPDH2IMPDH1TAS1R3
SCHEMBL12851760 0.95 HPGD (0.45) HPGDHINT1IMPDH2IMPDH1TAS1R3
SCHEMBL12851722 0.84 ADORA3 (0.53) HPGDHINT1ADORA3NT5ETAAR1
SCHEMBL12851761 0.83 NT5E (0.37) HPGDHINT1IMPDH2IMPDH1TAS1R3
SCHEMBL12851698 0.83 NT5E (0.37) HPGDHINT1IMPDH2IMPDH1TAS1R3
SCHEMBL26269037 0.83 HINT1 (0.51) HINT1ADORA3NT5ETAAR1STING1
SCHEMBL26269047 0.83 HINT1 (0.51) HINT1ADORA3NT5ETAAR1STING1
SCHEMBL15723521 0.83 HPGD (0.39) HPGDHINT1IMPDH2IMPDH1TAS1R3
SCHEMBL15070820 0.82 HPGD (0.42) HPGDHINT1IMPDH2IMPDH1TAS1R3
SCHEMBL16473387 0.82 HINT1 (0.36) HPGDHINT1IMPDH2IMPDH1TAS1R3

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-9029335-B2 Substituted 2′-thio-bicyclic nucleosides and oligomeric compounds prepared therefrom ISIS PHARMACEUTICALS, INC. (US) 2015-05-12 — — US disclosed
US-20140106451-A1 SUBSTITUTED 2'-THIO-BICYCLIC NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM IONIS PHARMACEUTICALS, INC. 2014-04-17 — — 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-20140106451-A1 SUBSTITUTED 2'-THIO-BICYCLIC NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM RNMT, HNRNPM, NSUN2 HPGD 4082/4885HINT1 516/4885IMPDH2 499/4885

“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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