SCHEMBL16280888

SCHEMBL16280888

CCCCOC(=O)C(CCCCNC(=O)C(F)(F)F)NC(=O)CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
NOD1 Q9Y239 2/20 0.39
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL13273957 0.91 EPHX1 (0.49) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL12640002 0.89 EPHX1 (0.47) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL12639999 0.85 EPHX1 (0.54) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL12984679 0.83 NOD1 (0.51) EPHX1NOD1SIRT6SIRT1GLP1R
SCHEMBL12985150 0.83 EPHX1 (0.56) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL16280887 0.81 EPHX1 (0.58) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL12984681 0.80 EPHX1 (0.46) EPHX1NOD1GLP1R
SCHEMBL18877598 0.80 EPHX1 (0.56) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL16549327 0.80 EPHX1 (0.56) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL11533133 0.79 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9655850-B2 Substituted diketopiperazine analogs for use as drug delivery agents MANNKIND CORPORATION (US) 2017-05-23 US disclosed
US-20160067183-A1 SUBSTITUTED DIKETOPIPERAZINE ANALOGS FOR USE AS DRUG DELIVERY AGENTS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2016-03-10 US disclosed
US-9220687-B2 Substituted diketopiperazine analogs for use as drug delivery agents MANNKIND CORPORATION (US) 2015-12-29 US disclosed
US-20150065422-A1 SUBSTITUTED DIKETOPIPERAZINE ANALOGS FOR USE AS DRUG DELIVERY AGENTS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2015-03-05 US disclosed
US-8906926-B2 Substituted diketopiperazine analogs for use as drug delivery agents MANNKIND CORPORATION (US) 2014-12-09 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 (2 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-20160067183-A1 SUBSTITUTED DIKETOPIPERAZINE ANALOGS FOR USE AS DRUG DELIVERY AGENTS DNPEP, NPEPPS, DHPS EPHX1 4330/4885ALDH1A1 3745/4885POLB 3171/4885
US-20150065422-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.