Sugi Predict

Sugi Predict / Compounds / SCHEMBL599089

SCHEMBL599089

SCHEMBL599089

CS(=O)(=O)OC1(CO)CC(COCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ AGTR2 P50052 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ AR P10275 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NAAA Q02083 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
SCHEMBL599350 0.82 CTSL (0.39) BUB1CTSLCTSBCTSKAGTR2
SCHEMBL599088 0.75 CTSL (0.38) BUB1CTSLCTSBCTSKAGTR2
SCHEMBL16398437 0.75 CTSL (0.45) CTSLCTSBCTSKAGTR2LMNA
SCHEMBL10171982 0.75 CTSL (0.42) BUB1CTSLCTSBCTSKAGTR2
SCHEMBL16398438 0.75 CTSL (0.45) CTSLCTSBCTSKAGTR2LMNA
SCHEMBL9394261 0.73 TSHR (0.48) BUB1CTSLCTSBCTSKAGTR2
SCHEMBL599349 0.72 BUB1 (0.40) BUB1CTSLCTSBCTSKAGTR2
SCHEMBL28657384 0.72 TSHR (0.44) BUB1CTSLCTSBCTSKAGTR2
SCHEMBL7936478 0.72 AGTR2 (0.45) BUB1CTSLCTSBCTSKAGTR2
SCHEMBL5788946 0.71 CTSL (0.41) BUB1CTSLCTSBCTSKAGTR2

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 BUB1 1916/4885CTSL 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 BUB1 1906/4885CTSL 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.