SCHEMBL2429614

SCHEMBL2429614

CS(=O)(=O)CCNc1cc(C(=O)O)ccc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.45
NEU3 Q9UQ49 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
PLEC Q15149 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCAR3 P49019 2/20 0.39
LMNA P02545 1/20 0.38
CDC25B P30305 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
APOBEC3A P31941 1/20 0.38

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
SCHEMBL2466385 0.92 KDM4E (0.40) PTGER4NEU3ALDH1A1MAPTKDM4E
SCHEMBL2425639 0.83 HCAR3 (0.55) PTGER4NEU3ALDH1A1MAPTKDM4E
SCHEMBL2427920 0.81 HCAR3 (0.56) PTGER4ALDH1A1MAPTKDM4EGAA
SCHEMBL2432061 0.80 MAPT (0.62) PTGER4NEU3ALDH1A1MAPTKDM4E
SCHEMBL3141041 0.80 HCAR3 (0.57) ALDH1A1MAPTKDM4EGAATHRB
SCHEMBL2429456 0.80 PTGER4 (0.67) PTGER4NEU3ALDH1A1MAPTKDM4E
SCHEMBL3973709 0.78 HCAR3 (0.56) HCAR3CISD1
SCHEMBL3980340 0.77 PTGER4 (0.56) PTGER4NEU3ALDH1A1MAPTKDM4E
SCHEMBL18272540 0.77 PTGER4 (0.56) PTGER4NEU3ALDH1A1MAPTKDM4E
SCHEMBL12294412 0.77 PTGER4 (0.41) PTGER4NEU3ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910168-B Tropane compounds EXELIXIS INC 2014-07-30 CN disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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 (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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 PTGER4 492/4885NEU3 1155/4885ALDH1A1 323/4885

“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.