SCHEMBL6107293

SCHEMBL6107293

Nc1cc(CCCCC(=O)O)nc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.43
PPARA Q07869 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NOS2 P35228 1/20 0.38
TBXAS1 P24557 2/20 0.37
LTB4R Q15722 1/20 0.37

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
Hydrochloric Acid SCHEMBL7052284 0.80 NOS2 (0.60) NOS2
SCHEMBL6106716 0.79 CYP4F2 (0.45) NOS2TBXAS1
SCHEMBL2880078 0.79 HSP90AB1 (0.45) MAPTALDH1A1
SCHEMBL6790619 0.79 TBXAS1 (0.43) F13A1MAPTALDH1A1RXFP1TBXAS1
Adipic Acid SCHEMBL28157079 0.75 LMNA (0.58) PPARAALDH1A1
Adipic Acid SCHEMBL28157078 0.75 LMNA (0.58) PPARAALDH1A1
SCHEMBL7468038 0.75 NOS2 (0.58) NOS2
Hydrochloric Acid SCHEMBL7049243 0.74 NOS2 (0.61) NOS2
SCHEMBL26547322 0.73 MAPT (0.47) MAPTRXFP1TBXAS1
SCHEMBL3740210 0.73 ALDH1A1 (0.43) MAPTALDH1A1TBXAS1

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-7153862-B2 αv integrin receptor antagonists MERCK & CO., INC. (US) 2006-12-26 US disclosed
US-6693101-B2 ALKANOIC ACID DERIVATIVE; INTEGRIN RECEPTOR ANTAGONIST MERCK & CO., INC. 2004-02-17 US disclosed
US-20040019037-A1 Alpha V integrin receptor antagonists ASKEW BEN C (US) 2004-01-29 US disclosed
EP-1254116-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2003-04-23 EP disclosed
EP-1254116-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2002-11-06 EP disclosed
US-20010053853-A1 Alpha V integrin receptor antagonists MERCK & CO., INC. 2001-12-20 US disclosed
WO-2001053262-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2001-07-26 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-20040019037-A1 Alpha V integrin receptor antagonists ITGAV, ADGRE5, ITGA5 F13A1 164/4885PPARA 870/4885MAPT 4460/4885
US-20010053853-A1 Alpha V integrin receptor antagonists ITGAV, ADGRE5, ITGA5 F13A1 164/4885PPARA 870/4885MAPT 4460/4885

“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.