SCHEMBL599216

SCHEMBL599216

OC1(F)CC(COCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
NAAA Q02083 1/20 0.41
AGTR2 P50052 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LMNA P02545 1/20 0.40
BUB1 O43683 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL1613917 0.86 TSHR (0.48) TSHRCTSLCTSBCTSKNAAA
SCHEMBL9394261 0.86 TSHR (0.48) TSHRCTSLCTSBCTSKNAAA
SCHEMBL28657384 0.82 TSHR (0.44) TSHRCTSLCTSBCTSKNAAA
SCHEMBL599349 0.79 BUB1 (0.40) TSHRCTSLCTSBCTSKNAAA
SCHEMBL7936478 0.79 AGTR2 (0.45) TSHRCTSLCTSBCTSKNAAA
SCHEMBL25631052 0.77 TAAR1 (0.47) TSHRCTSLCTSBCTSKNAAA
SCHEMBL5790770 0.77 CTSL (0.48) TSHRCTSLCTSBCTSKNAAA
SCHEMBL14409096 0.76 AGTR2 (0.46) TSHRCTSLCTSBCTSKAGTR2
SCHEMBL7936553 0.76 AGTR2 (0.43) TSHRCTSLCTSBCTSKNAAA
SCHEMBL7925960 0.76 AGTR2 (0.46) TSHRCTSLCTSBCTSKAGTR2

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-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-7495006-B2 2′ and 3′-substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY (US) 2009-02-24 US disclosed
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation EMORY UNIVERSITY 2006-10-05 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-20090149416-A1 2' and 3'-Substituted Cyclobutyl Nucleoside Analogs for the Treatment Viral Infections and Abnormal Cellular Proliferation HAVCR2, PNP, PCNA TSHR 3945/4885CTSL 810/4885CTSB 701/4885
US-20060223835-A1 2' and 3'- substituted cyclobutyl nucleoside analogs for the treatment of viral infections and abnormal cellular proliferation HAVCR2, PNP, DCTD TSHR 3775/4885CTSL 758/4885CTSB 634/4885

“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.