SCHEMBL1235601

SCHEMBL1235601

O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCCNCCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.44
CA3 P07451 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
CA2 P00918 4/20 0.33
CA1 P00915 2/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL1234763 1.00 GBA1 (0.44) GBA1CA3CA5ACA5BCA2
SCHEMBL1234893 1.00 GBA1 (0.44) GBA1CA3CA5ACA5BCA2
SCHEMBL8088030 0.86 GBA1 (0.50) GBA1CA3CA5ACA5BCA2
SCHEMBL8087339 0.84 GBA1 (0.49) GBA1CA3CA5ACA5BCA2
SCHEMBL10046572 0.79 GBA1 (0.44) GBA1
SCHEMBL1234198 0.77 GBA1 (0.39) GBA1CA2THRB
SCHEMBL15625533 0.76 GBA1 (0.43) GBA1
SCHEMBL20746294 0.75 GBA1 (0.38) GBA1CA2CA1MMP1MMP2
SCHEMBL5386730 0.75 GBA1 (0.37) GBA1CA2CA1MMP1MMP2
SCHEMBL6029680 0.75 GBA1 (0.37) GBA1CA2CA1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287270-B1 Compound containing a fluorinated amide group DU PONT (US) 2013-04-03 EP disclosed
US-8389657-B2 Poly(meth)acrylamides and poly(meth)acrylates containing flourinated amide E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-03-05 US disclosed
US-20120264972-A1 POLY(METH)ACRYLAMIDES AND POLY(METH)ACRYLATES CONTAINING FLUORINATED AMIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-10-18 US disclosed
EP-2054452-B1 POLY(METH)ACRYLAMIDES AND POLY(METH)ACRYLATES CONTAINING FLUORINATED AMIDE DU PONT (US) 2012-09-19 EP disclosed
US-8178638-B2 Poly(meth)acrylamides and poly(meth)acrylates containing fluorinated amide E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-15 US disclosed
EP-2287270-A2 Composition containing fluorinated amide E. I. du Pont de Nemours and Company (US) 2011-02-23 EP disclosed
US-20100233419-A1 POLY(METH)ACRYLAMIDES AND POLY(METH)ACRYLATES CONTAINING FLUORINATED AMIDE E.I.DU PONT DE NEMOURS AND COMPANY (US) 2010-09-16 US disclosed
US-7754838-B2 Poly(meth)acrylamides and poly(meth)acrylates containing fluorinated amide E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-13 US disclosed
EP-2054452-A2 POLY(METH)ACRYLAMIDES AND POLY(METH)ACRYLATES CONTAINING FLUORINATED AMIDE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-06 EP disclosed
WO-2008021153-A2 POLY(METH)ACRYLAMIDES AND POLY(METH)ACRYLATES CONTAINING FLUORINATED AMIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-02-21 WO disclosed
US-20080039605-A1 Poly(meth)acrylamides and poly(meth)acrylates containing fluorinated amide E. I. DU PONT DE NEMOURS AND COMPANY 2008-02-14 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-20100233419-A1 POLY(METH)ACRYLAMIDES AND POLY(METH)ACRYLATES CONTAINING FLUORINATED AMIDE FGB, AFF1, AFF4 GBA1 3637/4885CA3 1274/4885CA5A 2689/4885
US-20120264972-A1 POLY(METH)ACRYLAMIDES AND POLY(METH)ACRYLATES CONTAINING FLUORINATED AMIDE AFF1, AFF2, AFF4 GBA1 3227/4885CA3 1503/4885CA5A 2615/4885

“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.