Sugi Predict

Sugi Predict / Compounds / SCHEMBL12482172

SCHEMBL12482172

SCHEMBL12482172

CC1(F)C(O)C(CO)OC1n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.58
▸ ADORA2A P29274 6/20 0.55
▸ ADORA1 P30542 6/20 0.51
▸ ADORA2B P29275 3/20 0.51
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SLC29A1 Q99808 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL31167395 1.00 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2BLMNA
SCHEMBL31167392 1.00 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2BLMNA
SCHEMBL34471709 0.91 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2BLMNA
SCHEMBL17099316 0.90 ADORA3 (0.71) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL31154630 0.90 ADORA3 (0.71) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6746488 0.90 ADORA3 (0.56) ADORA3ADORA2AADORA1ADORA2BLMNA
SCHEMBL17099315 0.90 ADORA3 (0.71) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL17109605 0.90 ADORA3 (0.71) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL28245635 0.89 ADORA3 (0.70) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL31170989 0.88 ADORA3 (0.56) ADORA3ADORA2AADORA1ADORA2BLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348029-A1 Preparation of alkyl-substituted 2-deoxy-2-fluoro-d-ribofuranosyl pyrimidines and purines and their derivatives Pharmasset, Inc. (US) 2011-07-27 — — EP disclosed
US-20100234585-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET, INC. (US) 2010-09-16 — — US disclosed
US-20100048917-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSETT, INC. (US) 2010-02-25 — — 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 (2 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-20100048917-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES NSUN2, FBL, UMPS ADORA3 270/4885ADORA2A 173/4885ADORA1 356/4885
US-20100234585-A1 PREPARATION OF ALKYL-SUBSTITUTED 2-DEOXY-2-FLUORO-D-RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES NSUN2, FBL, UMPS ADORA3 270/4885ADORA2A 173/4885ADORA1 356/4885

“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.