SCHEMBL7457733

SCHEMBL7457733

C#C[C@@]1(CO)O[C@H](n2cc(F)c(=O)[nH]c2=O)CC1O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.44
ESR1 P03372 1/20 0.44
TSHR P16473 1/20 0.40
PMP22 Q01453 1/20 0.40
HBB P68871 1/20 0.40
TK1 P04183 3/20 0.39
ALOX12 P18054 1/20 0.38
ADRA1A P35348 1/20 0.38
NT5E P21589 1/20 0.37
P2RY6 Q15077 1/20 0.37
P2RY14 Q15391 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
SCHEMBL7457731 1.00 LMNA (0.53) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL31652899 1.00 LMNA (0.53) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL31653154 1.00 LMNA (0.53) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL26124767 0.89 LMNA (0.53) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL7459386 0.88 TK1 (0.40) LMNASMN1; SMN2TSHRTK1ALOX12
SCHEMBL7459382 0.88 TK1 (0.40) LMNASMN1; SMN2TSHRTK1ALOX12
SCHEMBL31652946 0.87 TK1 (0.51) LMNASMN1; SMN2TSHRPMP22TK1
SCHEMBL31653051 0.87 TK1 (0.55) TK1
SCHEMBL913904 0.87 TK1 (0.55) TK1
SCHEMBL913905 0.87 TK1 (0.55) TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.