SCHEMBL5508265

SCHEMBL5508265

O=C(O)CCC(CNc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.57
GAA P10253 1/20 0.48
FFAR1 O14842 1/20 0.46
FOLH1 Q04609 5/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGFR P43088 1/20 0.43

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
SCHEMBL5513749 0.89 PTGER1 (0.49) CPA3GAAFFAR1FOLH1ALDH1A1
SCHEMBL18857497 0.85 BCHE (0.49) CPA3FOLH1
SCHEMBL18857495 0.84 EPHX2 (0.48) CPA3ALDH1A1
SCHEMBL4026828 0.83 MAPT (0.40) CPA3GAACYP1A2TSHR
SCHEMBL5523832 0.82 CPA1 (0.55) CPA3FFAR1FOLH1ALDH1A1CYP1A2
SCHEMBL10765112 0.80 MAPK1 (0.57) ALDH1A1TSHR
SCHEMBL18636728 0.80 CPA3 (0.50) CPA3GAAFFAR1FOLH1ALDH1A1
SCHEMBL11019050 0.79 MEN1 (0.56) GAAALDH1A1CYP1A2TSHR
SCHEMBL18637009 0.79 CPA3 (0.49) CPA3GAAFFAR1FOLH1ALDH1A1
SCHEMBL5524161 0.79 CYP2D6 (0.52) CPA3GAAALDH1A1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy TPAT IP LLC 2018-05-17 US disclosed
US-9867813-B2 Aminopyridine based buffers with wide buffering ranges, antibiotics and myelin disease therapy TPAT IP LLC 2018-01-16 US disclosed
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy TPAT IP LLC 2017-05-18 US disclosed
EP-1470258-B1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2013-08-28 EP disclosed
US-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 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-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG CPA3 2255/4885GAA 779/4885FFAR1 4584/4885
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG CPA3 2280/4885GAA 962/4885FFAR1 4530/4885

“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.