SCHEMBL987883

SCHEMBL987883

CCCNC(=O)C(N)Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ANPEP P15144 2/20 0.54
RNPEP Q9H4A4 2/20 0.54
DNPEP Q9ULA0 2/20 0.54
SLC15A1 P46059 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
CTSC P53634 1/20 0.52
MMP2 P08253 1/20 0.52
LAP3 P28838 3/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL2311329 1.00 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL7202509 0.98 L3MBTL1 (0.54) ALPIPKMPTGS1XIAPSLC7A5
Bromide SCHEMBL10803039 0.98 L3MBTL1 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL987969 0.91 REN (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3409209 0.91 REN (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27163859 0.91 REN (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21010316 0.90 SLC15A1 (0.64) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16994019 0.89 DPP7 (0.58)
SCHEMBL987955 0.89 DPP7 (0.58)
SCHEMBL17941646 0.88 NAAA (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021060336-A1 NOVEL CROSSLINKED ALGINIC ACID STRUCTURE 持田製薬株式会社 2021-04-01 WO disclosed
US-9255062-B2 Fatty acid derivatives for oral administration endowed with high palatability RHEA INNOVATIONS S.R.L. (IT) 2016-02-09 US disclosed
EP-2268605-B1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY BERNI CANANI ROBERTO (IT) 2014-06-04 EP disclosed
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US disclosed
EP-2350014-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2011-08-03 EP disclosed
US-20110098319-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY RHEA INNOVATIONS S.R.L. (IT) 2011-04-28 US disclosed
EP-2268605-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PAIA- TABILITY Berni Canani, Roberto (IT) 2011-01-05 EP disclosed
WO-2010037533-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA (DE) 2010-04-08 WO disclosed
WO-2009130735-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY BERNI CANANI ROBERTO (IT) 2009-10-29 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 (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-20110098319-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY FABP2, FFAR2, VIP ALPI 328/4885PKM 631/4885PTGS1 2679/4885
US-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A ALPI 4486/4885PKM 2505/4885PTGS1 893/4885

“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.