SCHEMBL12639999

SCHEMBL12639999

CCCCOC(=O)C(CCCCNC(=O)C(F)(F)F)NCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA14 Q9ULX7 2/20 0.42
CA3 P07451 2/20 0.42
CA5A P35218 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
NQO2 P16083 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ACHE P22303 7/20 0.37

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
SCHEMBL12640002 0.86 EPHX1 (0.47) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL16280888 0.85 EPHX1 (0.51) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL13273957 0.83 EPHX1 (0.49) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL16280887 0.83 EPHX1 (0.58) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL16549327 0.82 EPHX1 (0.56) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL18877598 0.82 EPHX1 (0.56) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL12985150 0.81 EPHX1 (0.56) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL12984684 0.77 EPHX1 (0.61) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL12984679 0.76 NOD1 (0.51) EPHX1SIRT6SIRT1
SCHEMBL11529874 0.76 POLB (0.51) EPHX1ALDH1A1POLBSMN1; SMN2MEN1

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-8314106-B2 Substituted diketopiperazine analogs for use as drug delivery agents MANNKIND CORPORATION (US) 2012-11-20 US disclosed
US-20110158935-A1 Substituted Diketopiperazine Analogs for Use as Drug Delivery Agents WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2011-06-30 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-20110158935-A1 Substituted Diketopiperazine Analogs for Use as Drug Delivery Agents DNPEP, NPEPPS, DHPS EPHX1 4330/4885ALDH1A1 3745/4885POLB 3171/4885

“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.