SCHEMBL4948028

SCHEMBL4948028

N#Cc1[c]ccc(C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA6 P23280 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CA4 P22748 1/20 0.36
PTGS2 P35354 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36

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
SCHEMBL10332439 0.75 CA12 (0.47) ALDH1A1HPGDCA12CA1CA2
SCHEMBL5857066 0.71 KDM4E (0.42) ALDH1A1HPGDCA12CA1CA2
SCHEMBL2467941 0.71 CA12 (0.46) ALDH1A1HPGDCA12CA1CA2
SCHEMBL490251 0.71 KDM4E (0.42) ALDH1A1HPGDCA12CA1CA2
SCHEMBL142939 0.69 TSHR (0.40) ALDH1A1HPGDCA12CA1CA2
SCHEMBL27860665 0.69 TSHR (0.40) ALDH1A1HPGDCA12CA1CA2
SCHEMBL1205901 0.69 TSHR (0.48) ALDH1A1CA12CA1CA2CA6
SCHEMBL444146 0.69 GABRP (0.44) ALDH1A1HPGDCA12CA1CA2
SCHEMBL753676 0.69 ALDH1A1 (0.43) ALDH1A1HPGDCA12CA1CA2
SCHEMBL6276304 0.69

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
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed
US-7393868-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2008-07-01 US disclosed
EP-1893597-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-03-05 EP disclosed
US-20070142441-A1 AMPA receptor potentiators ELI LILLY AND COMPANY 2007-06-21 US disclosed
WO-2006132811-A2 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2006-12-14 WO disclosed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP 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 (1 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-20070142441-A1 AMPA receptor potentiators GABRE, GRIN1, GRIK2 ALDH1A1 928/4885HPGD 1036/4885CA12 2225/4885

“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.