SCHEMBL51874

SCHEMBL51874

CCOC(=O)C(=O)N(C)CCF

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 2/20 0.35
GLO1 Q04760 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 3/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 1/20 0.33

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
SCHEMBL51835 0.79 MEN1 (0.34) ALDH1A1EGLN1MEN1KMT2A
SCHEMBL26665546 0.79 ALDH1A1 (0.42) CYP2C9CA12CA1CA2CA9
SCHEMBL15821786 0.78 CYP2C9 (0.36) CYP2C9CA12CA1CA2CA9
SCHEMBL4497612 0.73 EGLN1 (0.42) CYP2C9CA12CA1CA2CA9
SCHEMBL1331806 0.73 ALDH1A1 (0.46) CYP2C9CA12CA1CA2CA9
SCHEMBL1330762 0.73 ALDH1A1 (0.46) CYP2C9CA12CA1CA2CA9
SCHEMBL2114681 0.73 ALDH1A1 (0.46) CYP2C9CA12CA1CA2CA9
SCHEMBL23159298 0.73 CYP2C9 (0.42) CYP2C9CA12CA1CA2CA9
SCHEMBL15780800 0.72 CYP2C9 (0.41) CYP2C9CA12CA1CA2CA9
SCHEMBL51563 0.72 EPHX2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CYP2C9 602/4885CA12 4776/4885CA1 4824/4885

“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.