SCHEMBL3334720

SCHEMBL3334720

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
PMP22 Q01453 1/20 0.38
HBB P68871 1/20 0.38
THRB P10828 1/20 0.37
HIF1A Q16665 1/20 0.37
ESR1 P03372 1/20 0.37
TYMS P04818 1/20 0.35
P2RY6 Q15077 2/20 0.35
P2RY14 Q15391 2/20 0.35
NT5E P21589 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIK5 Q16478 1/20 0.34

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
SCHEMBL11965627 1.00 LMNA (0.40) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL10171895 0.85 LMNA (0.42) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL600906 0.85 LMNA (0.42) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL600907 0.85 LMNA (0.42) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL11965624 0.81 LMNA (0.41) LMNASMN1; SMN2TSHRTHRBHIF1A
SCHEMBL3340940 0.81 LMNA (0.41) LMNASMN1; SMN2TSHRTHRBHIF1A
SCHEMBL2583193 0.77 LMNA (0.58) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL1055675 0.77 LMNA (0.58) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL8329362 0.75 LMNA (0.55) LMNASMN1; SMN2MAPTESR1TYMS
SCHEMBL2585372 0.75 LMNA (0.46) LMNASMN1; SMN2MAPTTSHRPMP22

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-8242120-B2 Carbocyclic compounds and methods for treating emerging disease, including influenza and Venezuela equine encephalitis virus UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-08-14 US disclosed
US-20100144664-A1 CARBOCYCLIC COMPOUNDS AND METHODS FOR TREATING EMERGING DISEASE, INCLUDING INFLUENZA AND VENEZUELA EQUINE ENCEPHALITIS VIRUS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC. (GA) 2010-06-10 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-20100144664-A1 CARBOCYCLIC COMPOUNDS AND METHODS FOR TREATING EMERGING DISEASE, INCLUDING INFLUENZA AND VENEZUELA EQUINE ENCEPHALITIS VIRUS HTR3C, APOBEC3C, CUL5 LMNA 4298/4885SMN1; SMN2 3039/4885MAPT 1766/4885

“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.