SCHEMBL13124663

SCHEMBL13124663

CC(C)C(=O)C(Nc1nccs1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 6/20 0.47
FDPS P14324 1/20 0.46
HSPA9 P38646 3/20 0.46
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
ADORA2A P29274 1/20 0.43
NR3C1 P04150 1/20 0.43
HSPA8 P11142 1/20 0.43
HSPA2 P54652 1/20 0.42
FFAR2 O15552 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL10299127 0.84 HSPA5 (0.49) HSPA5FDPSHSPA9LMNATSHR
SCHEMBL12966147 0.76 HSPA9 (0.52) HSPA5FDPSHSPA9LMNATSHR
SCHEMBL4455601 0.76 FDPS (0.46) HSPA5FDPSLMNATSHRADORA2A
SCHEMBL4455593 0.76 FDPS (0.46) HSPA5FDPSLMNATSHRADORA2A
SCHEMBL4469605 0.76 FDPS (0.46) HSPA5FDPSLMNATSHRADORA2A
SCHEMBL13124653 0.74 KDM4E (0.38) LMNAFFAR2MEN1KMT2ANPC1
SCHEMBL43587 0.72 FDPS (0.53) HSPA5FDPSHSPA9LMNATSHR
SCHEMBL43586 0.72 FDPS (0.53) HSPA5FDPSHSPA9LMNATSHR
SCHEMBL288965 0.72 FDPS (0.53) HSPA5FDPSHSPA9LMNATSHR
SCHEMBL12884426 0.71 LMNA (0.58) HSPA5HSPA9LMNATSHRADORA2A

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-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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 (3 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSPA5 1232/4885FDPS 211/4885HSPA9 1176/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSPA5 1232/4885FDPS 211/4885HSPA9 1176/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS HSPA5 1232/4885FDPS 211/4885HSPA9 1176/4885

“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.