SCHEMBL3099707

SCHEMBL3099707

Cc1nn(CC(=O)O)c(=O)n1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.46
CYP2C19 P33261 2/20 0.40
ADORA2B P29275 2/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6760748 0.77 BRD9 (0.41) ALDH1A1CYP2C19ADORA2BPOLBRAB9A
SCHEMBL4501158 0.74 RAB9A (0.51) ALDH1A1LMNACYP2C19POLBALOX15
SCHEMBL8235255 0.72 TSHR (0.43) ALDH1A1LMNARAB9A
SCHEMBL27935327 0.70 ALDH1A1 (0.39) ALDH1A1LMNAGAAALOX15RAB9A
SCHEMBL3588529 0.69 ALDH1A1 (0.50) ALDH1A1LMNAGAAPOLBALOX15
Hydrochloric Acid SCHEMBL1374124 0.68 ALDH1A1 (0.48) ALDH1A1LMNAGAAPOLBALOX15
SCHEMBL12561756 0.68
SCHEMBL18382476 0.67 ALDH1A1 (0.42) ALDH1A1LMNAGAAADORA2BALOX15
SCHEMBL3767521 0.66 HTT (0.53) ALDH1A1LMNAADORA2B
SCHEMBL22542545 0.66 APEX1 (0.52) ALDH1A1LMNAADORA2B

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
US-8183351-B2 Avermectin derivatives BAYER CROPSCIENCE AG (DE) 2012-05-22 US disclosed
US-8183351-B2 Avermectin derivatives BAYER CROPSCIENCE AG (DE) 2012-05-22 US disclosed
US-8183351-B2 Avermectin derivatives BAYER CROPSCIENCE AG (DE) 2012-05-22 US disclosed
US-20100234312-A1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100234312-A1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100234312-A1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
EP-2054427-B1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-07-14 EP disclosed
EP-2054427-A2 AVERMECTIN DERIVATIVES Bayer CropScience AG (DE) 2009-05-06 EP disclosed
WO-2008019784-A2 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-21 WO disclosed
WO-2008019784-A2 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-21 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-20100234312-A1 AVERMECTIN DERIVATIVES OXTR, C3AR1, CBR3 ALDH1A1 2070/4885LMNA 1728/4885GAA 4709/4885

“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.