SCHEMBL2998450

SCHEMBL2998450

CCOC(=O)/C(CCCCCl)=N/Nc1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYAT1 Q16773 6/20 0.64
NPSR1 Q6W5P4 4/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 8/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 6/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL16363548 0.78 NPSR1 (0.52) KYAT1NPSR1ATMLMNAALDH1A1
SCHEMBL9127357 0.77 KYAT1 (0.95) KYAT1NPSR1ATMLMNAALDH1A1
SCHEMBL16814433 0.77 ATM (0.51) KYAT1NPSR1ATMLMNAALDH1A1
Bicarbonate SCHEMBL9188194 0.76 KYAT1 (0.80) KYAT1NPSR1ATMLMNAALDH1A1
SCHEMBL9188186 0.76 KYAT1 (0.93) KYAT1NPSR1ATMLMNAALDH1A1
SCHEMBL15619282 0.76 KYAT1 (0.83) KYAT1NPSR1ATMLMNAALDH1A1
SCHEMBL15619280 0.76 KYAT1 (0.83) KYAT1NPSR1ATMLMNAALDH1A1
SCHEMBL7888074 0.75 GAA (0.49) KYAT1NPSR1ATMLMNAALDH1A1
SCHEMBL7888075 0.75 GAA (0.49) KYAT1NPSR1ATMLMNAALDH1A1
SCHEMBL16353331 0.74 KYAT1 (0.48) KYAT1NPSR1ATMLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 KYAT1 1999/4885NPSR1 3625/4885ATM 1399/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 KYAT1 1999/4885NPSR1 3625/4885ATM 1399/4885

“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.