SCHEMBL10172082

SCHEMBL10172082

O=c1[nH]c(=O)n([C@@H]2C[C@H](CCO)C2F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.42
ESR1 P03372 1/20 0.42
TSHR P16473 1/20 0.40
PMP22 Q01453 1/20 0.40
HBB P68871 1/20 0.40
KMT2A Q03164 1/20 0.38
TK1 P04183 4/20 0.36

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
SCHEMBL599661 0.89 LMNA (0.53) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL10172064 0.89 LMNA (0.53) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL10171788 0.89 LMNA (0.53) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL599660 0.89 LMNA (0.53) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL9311378 0.81 LMNA (0.62) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL600907 0.80 LMNA (0.42) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL10171895 0.80 LMNA (0.42) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL600906 0.80 LMNA (0.42) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL10515491 0.78 LMNA (0.56) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL10514666 0.78 LMNA (0.56) LMNASMN1; SMN2MAPTESR1TSHR

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-8114994-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-8114994-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-11 US disclosed
US-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-11 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-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation HAVCR2, PNP, PCNA LMNA 2156/4885SMN1; SMN2 1275/4885MAPT 2646/4885

“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.