SCHEMBL7208634

SCHEMBL7208634

CC[Si](C#C[C@]1(COC(C)=O)O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1OC(C)=O)(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 2/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ TYMS P04818 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ HBB P68871 1/20 0.32
▸ TK1 P04183 1/20 0.31
▸ P2RY6 Q15077 2/20 0.31
▸ P2RY14 Q15391 2/20 0.31
▸ NT5E P21589 1/20 0.30

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
SCHEMBL7208621 0.85 TDP1 (0.33) LMNASMN1; SMN2P2RY6
SCHEMBL7213325 0.81 LMNA (0.35) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL17533853 0.80 LMNA (0.41) LMNASMN1; SMN2MAPTESR1TYMS
SCHEMBL20879548 0.79 LMNA (0.42) LMNASMN1; SMN2MAPTESR1TYMS
SCHEMBL25400298 0.78 LMNA (0.44) LMNASMN1; SMN2MAPTESR1TYMS
SCHEMBL26268794 0.75 LMNA (0.39) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL30670559 0.72 LMNA (0.45) LMNASMN1; SMN2MAPTESR1TYMS
SCHEMBL7214745 0.71 TSHR (0.32) LMNASMN1; SMN2MAPTTYMSTSHR
SCHEMBL25401110 0.71 TSHR (0.32) LMNASMN1; SMN2MAPTTYMSTSHR
SCHEMBL15075492 0.70 ALDH1A1 (0.39) SMN1; SMN2TK1P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177201-B1 4'-C-ETHYNYL PYRIMIDINE NUCLEOSIDES YAMASA CORP (JP) 2003-09-24 — — EP disclosed
US-6403568-B1 FOR THERAPY OF ACQUIRED IMMUNODEFICIENCY SYNDROME (AIDS) YAMASA CORPORATION (JP) 2002-06-11 — — US disclosed
US-20020022722-A1 4'-C-ethynyl pyrimidine nucleoside compounds OHRUI HIROSHI (JP) 2002-02-21 — — US disclosed
US-6333315-B1 FOR THERAPY OF AIDS(ACQUIRE IMMUNODEFICIENCY SYNDROME) YAMASA CORPORATION (JP) 2001-12-25 — — US disclosed
US-6291670-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS AND AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) YAMASA CORPORATION (JP) 2001-09-18 — — 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-20020022722-A1 4'-C-ethynyl pyrimidine nucleoside compounds PNP, TYMP, NUDT1 LMNA 3211/4885SMN1; SMN2 3628/4885MAPT 3572/4885

“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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