SCHEMBL5991334

SCHEMBL5991334

COC(=O)NC(C)C(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ ACACB O00763 1/20 0.30

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
SCHEMBL8913399 1.00 CA14 (0.33) CA14SMN1; SMN2CA12CA1CA2
SCHEMBL8913393 1.00 CA14 (0.33) CA14SMN1; SMN2CA12CA1CA2
SCHEMBL3266601 0.78 CA12 (0.39) CA14SMN1; SMN2CA12CA9MEN1
SCHEMBL825040 0.78 CA12 (0.39) CA14SMN1; SMN2CA12CA9MEN1
SCHEMBL8907865 0.78 CA12 (0.39) CA14SMN1; SMN2CA12CA9MEN1
SCHEMBL16509166 0.78 MEN1 (0.31) MEN1TSHRKMT2AACACB
SCHEMBL12175181 0.78 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AALDH1A1ACACB
SCHEMBL890185 0.78 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AALDH1A1ACACB
SCHEMBL19334284 0.78 MMP1 (0.35) SMN1; SMN2CA12CA1CA2MMP1
SCHEMBL13050322 0.78 CA1 (0.50) CA14CA12CA1CA2KMT2A

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 8 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-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 — — US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 — — US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 — — US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 — — US disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 — — 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 (7 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS CA14 4112/4885SMN1; SMN2 4141/4885CA12 4401/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA14 4112/4885SMN1; SMN2 4141/4885CA12 4401/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA14 4112/4885SMN1; SMN2 4141/4885CA12 4401/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA14 4112/4885SMN1; SMN2 4141/4885CA12 4401/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CA14 4112/4885SMN1; SMN2 4141/4885CA12 4401/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CA14 2813/4885SMN1; SMN2 4352/4885CA12 3169/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS CA14 4112/4885SMN1; SMN2 4141/4885CA12 4401/4885

“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.

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