SCHEMBL1097115

SCHEMBL1097115

Nc1ccc(CN[C@@H](Cc2ccc(N)cc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.51
ITGA5 P08648 5/20 0.51
CA2 P00918 1/20 0.51
ITGB3 P05106 4/20 0.49
ITGAV P06756 4/20 0.49
MME P08473 3/20 0.45
ALDH1A1 P00352 1/20 0.44
SOAT1 P35610 1/20 0.43
SRR Q9GZT4 2/20 0.41
PSAT1 Q9Y617 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PSMB5 P28074 1/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
MEP1B Q16820 2/20 0.40

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
SCHEMBL1093170 0.85 CA2 (0.50) ITGB1ITGA5CA2ITGB3ITGAV
SCHEMBL1093169 0.85 CA2 (0.50) ITGB1ITGA5CA2ITGB3ITGAV
SCHEMBL11586552 0.85 ITGB1 (0.50) ITGB1ITGA5CA2ITGB3ITGAV
SCHEMBL8414223 0.84 FOLH1 (0.55) CA2MMEALDH1A1
SCHEMBL148423 0.84 FOLH1 (0.55) CA2MMEALDH1A1
SCHEMBL497336 0.84 MME (0.56) MMEALDH1A1PSMB5ANPEPMEP1B
SCHEMBL73955 0.84 MME (0.56) MMEALDH1A1PSMB5ANPEPMEP1B
SCHEMBL11581853 0.84 MME (0.56) MMEALDH1A1PSMB5ANPEPMEP1B
SCHEMBL4624958 0.84 CA2 (0.44) ITGB1ITGA5CA2
SCHEMBL1097668 0.83 FPR2 (0.52) ITGB1MMEALDH1A1MEP1B

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 ITGB1 4442/4885ITGA5 3851/4885CA2 4215/4885
US-20080227847-A1 Novel Salts of Fumaric Acid Monoalkylesters and Their Pharmaceutical Use FAH, SLC16A1, FH ITGB1 4572/4885ITGA5 4555/4885CA2 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.