SCHEMBL1097668

SCHEMBL1097668

O=C(O)[C@H](Cc1ccc(Br)cc1)NCc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.52
CTSK P43235 1/20 0.51
MMP2 P08253 2/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
MME P08473 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FOLH1 Q04609 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
TGM2 P21980 1/20 0.44
MEP1B Q16820 2/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL11352345 0.95 FPR2 (0.59) FPR2CTSKMMP2MMP1MMP3
SCHEMBL839119 0.85 FPR2 (0.55) FPR2CTSKMMP2MMP1MMP3
SCHEMBL18614301 0.85 FPR2 (0.55) FPR2CTSKMMP2MMP1MMP3
SCHEMBL148423 0.84 FOLH1 (0.55) MMEL3MBTL1FOLH1ALDH1A1
SCHEMBL8414223 0.84 FOLH1 (0.55) MMEL3MBTL1FOLH1ALDH1A1
SCHEMBL11581853 0.84 MME (0.56) MMP2MMP9MMEFOLH1ALDH1A1
SCHEMBL73955 0.84 MME (0.56) MMP2MMP9MMEFOLH1ALDH1A1
SCHEMBL497336 0.84 MME (0.56) MMP2MMP9MMEFOLH1ALDH1A1
Hydrochloric Acid SCHEMBL1681289 0.83 FPR2 (0.54) FPR2CTSKMMP2MMP1MMP3
SCHEMBL1097658 0.83 FPR2 (0.52) FPR2MMEFOLH1ALDH1A1MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153365-B2 Oligonucleotide analogues EXIQON A/S (DK) 2012-04-10 US disclosed
US-8034909-B2 Oligonucleotide analogues EXIQON A/S (DK) 2011-10-11 US disclosed
US-20110245327-A1 Oligonucleotide Analogues EXIQON A/S (DK) 2011-10-06 US disclosed
EP-2341057-A2 Oligonucleotide Analogues Exiqon A/S (DK) 2011-07-06 EP disclosed
EP-2341058-A2 Oligonucleotide Analogues Exiqon A/S (DK) 2011-07-06 EP disclosed
US-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use ADITECH PHARMA AB (SE) 2008-09-18 US disclosed
US-6376655-B1 APPLYING EXTERNAL STIMULATION; OPTICAL ANISOTROPY RISO NATIONAL LABORATORY (DK) 2002-04-23 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-20110245327-A1 Oligonucleotide Analogues POLRMT, POLM, POLN FPR2 3091/4885CTSK 3244/4885MMP2 3842/4885
US-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use FAH, SLC16A1, FH FPR2 347/4885CTSK 2115/4885MMP2 2902/4885

“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.