SCHEMBL10104155

SCHEMBL10104155

CC[C@@H](CCCC(=O)O)O[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 2/20 0.36
PPARG P37231 14/20 0.36
PPARA Q07869 8/20 0.36
TRPA1 O75762 1/20 0.36
FBP1 P09467 1/20 0.36
PPARD Q03181 6/20 0.35
HDAC11 Q96DB2 5/20 0.35
TSHR P16473 4/20 0.35
GPR84 Q9NQS5 4/20 0.35
ALDH1A1 P00352 2/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.35
FABP4 P15090 2/20 0.35
PTPN1 P18031 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35

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
SCHEMBL12754382 1.00 AKR1B1 (0.36) AKR1B1FFAR4FFAR1PPARGPPARA
SCHEMBL10119574 1.00 AKR1B1 (0.36) AKR1B1FFAR4FFAR1PPARGPPARA
SCHEMBL2013997 0.89 MEN1 (0.38) PPARGPPARAMEN1KMT2ALMNA
SCHEMBL10119573 0.83 TSHR (0.44) PPARGPPARATSHRALDH1A1TDP1
SCHEMBL13588978 0.83 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL398399 0.81 PTGS2 (0.38) TSHRMEN1KMT2ASLC22A6LMNA
SCHEMBL636113 0.81 PTGS2 (0.38) TSHRMEN1KMT2ASLC22A6LMNA
SCHEMBL398591 0.81 PTGS2 (0.38) TSHRMEN1KMT2ASLC22A6LMNA
SCHEMBL12754381 0.80 EPHX2 (0.30)
SCHEMBL10104151 0.80 EPHX2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101658-B2 Nitric oxide donating prostamides NICOX S.A. (FR) 2012-01-24 US disclosed
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2011-04-21 US disclosed
US-20100152258-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 2010-06-17 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-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES PTGIS, PTGIR, NOS2 AKR1B1 271/4885FFAR4 1380/4885FFAR1 1213/4885
US-20100152258-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR2, AGTR1, NPY2R AKR1B1 235/4885FFAR4 276/4885FFAR1 336/4885

“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.