SCHEMBL3216144

SCHEMBL3216144

CON(OC)C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
CA12 O43570 3/20 0.31
CA14 Q9ULX7 3/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA2 P00918 1/20 0.31
PTGES O14684 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL19465020 0.83 CTSK (0.33) DGAT1CA12CA14CA1CA7
SCHEMBL8193597 0.83 CTSK (0.33) DGAT1CA12CA14CA1CA7
SCHEMBL8193600 0.83 CTSK (0.33) DGAT1CA12CA14CA1CA7
SCHEMBL24670538 0.80 CA12 (0.31) CA12CA14CA1CA7PTGES
SCHEMBL16808277 0.79 CA12 (0.30) CA12CA14CA1CA7PTGES
SCHEMBL7038864 0.79 CA12 (0.30) CA12CA14CA1CA7PTGES
SCHEMBL19460142 0.78 CA12 (0.35) CA12CA14CA1CA7CA2
SCHEMBL24669520 0.78 CA1 (0.36) CA12CA14CA1CA7CA2
SCHEMBL13248112 0.75 CTSL (0.33) CA12CA14CA1CA7PTGES
SCHEMBL22730755 0.75 CA12 (0.43) CA12CA14CA1CA7PTGES

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324257-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-02-18 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-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIF18B DGAT1 3359/4885CA12 3550/4885CA14 3612/4885

“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.