SCHEMBL1098155

SCHEMBL1098155

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
ACE P12821 1/20 0.52
CA2 P00918 1/20 0.50
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GPR34 Q9UPC5 1/20 0.47
MAPK1 P28482 1/20 0.47
CPA1 P15085 1/20 0.46
HTT P42858 1/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
FOLH1 Q04609 1/20 0.45
MME P08473 1/20 0.45

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
SCHEMBL2486758 0.95 ALDH1A1 (0.70) ALDH1A1ACECA12CA7CA9
SCHEMBL17417900 0.85 ALDH1A1 (0.70) ALDH1A1ACEGPR34CPA1MME
SCHEMBL28337813 0.85 ALDH1A1 (0.50) ALDH1A1ACEMAPK1CPA1HTT
SCHEMBL1760821 0.85 ALDH1A1 (0.50) ALDH1A1ACEMAPK1HTTFOLH1
SCHEMBL838699 0.85 ALDH1A1 (0.57) ALDH1A1ACECA2CA12CA7
SCHEMBL28337815 0.85 ALDH1A1 (0.50) ALDH1A1ACEMAPK1CPA1HTT
SCHEMBL30062839 0.85 ALDH1A1 (0.57) ALDH1A1ACECA2CA12CA7
SCHEMBL29597658 0.85 ALDH1A1 (0.50) ALDH1A1ACEMAPK1HTTFOLH1
SCHEMBL1760830 0.85 ALDH1A1 (0.50) ALDH1A1ACEMAPK1HTTFOLH1
SCHEMBL148423 0.84 FOLH1 (0.55) ALDH1A1ACECA2CPA1FOLH1

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 6 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-2341058-A2 Oligonucleotide Analogues Exiqon A/S (DK) 2011-07-06 EP disclosed
EP-2341057-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

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 ALDH1A1 3811/4885ACE 1339/4885CA2 4215/4885
US-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use FAH, SLC16A1, FH ALDH1A1 320/4885ACE 1090/4885CA2 878/4885

“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.