SCHEMBL345433

SCHEMBL345433

O=C(O)CNCC(F)CF

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 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
SCHEMBL1270132 0.78
SCHEMBL6720465 0.71
SCHEMBL94152 0.70
SCHEMBL27898394 0.70 LMNA (0.35) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL5014969 0.70 SLC22A6 (0.41) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL4682735 0.69
SCHEMBL2354293 0.69 TET2 (0.33) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL1407281 0.69
Hydrochloric Acid SCHEMBL10681763 0.69 TET2 (0.33) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL5883451 0.69 TET2 (0.33) ALDH1A1LMNAMAPTPTGS2TDP1

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-8809498-B2 Pepstatin A derivatives FREIE UNIVERSITAET BERLIN (DE) 2014-08-19 US disclosed
EP-2283030-B1 PEPSTATIN A DERIVATIVES UNIV BERLIN FREIE (DE) 2013-10-23 EP disclosed
US-20120016103-A1 PEPSTATIN A DERIVATIVES FREIE UNIVERSITAET BERLIN 2012-01-19 US disclosed
EP-2283030-A1 PEPSTATIN A DERIVATIVES Freie Universität Berlin (DE) 2011-02-16 EP disclosed
WO-2009133188-A1 PEPSTATIN A DERIVATIVES FREIE UNIVERSITÄT BERLIN (DE) 2009-11-05 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-20120016103-A1 PEPSTATIN A DERIVATIVES PEPD, ANPEP, VIP S1PR2 2093/4885S1PR4 2607/4885S1PR1 1690/4885

“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.