SCHEMBL19137249

SCHEMBL19137249

C=CCNC(=O)C(C)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.38
KMT2A Q03164 1/20 0.37
FAAH O00519 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALPL P05186 1/20 0.36
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL15061709 0.82 HPGD (0.50) HPGDHSD17B10ALDH1A1NPSR1SMN1; SMN2
SCHEMBL25683301 0.81 SMN1; SMN2 (0.41) HPGDHSD17B10ALDH1A1NPSR1SMN1; SMN2
SCHEMBL17870512 0.81 CYP2D6 (0.32) ALDH1A1MAPTTSHRKMT2ACYP2D6
SCHEMBL17870511 0.81 CYP2D6 (0.32) ALDH1A1MAPTTSHRKMT2ACYP2D6
SCHEMBL21563366 0.80 HPGD (0.44) HPGDHSD17B10ALDH1A1NPSR1SMN1; SMN2
SCHEMBL25384931 0.79 ATM (0.43) HPGDHSD17B10ALDH1A1MAPTATM
SCHEMBL30416403 0.79 ATM (0.43) HPGDHSD17B10ALDH1A1MAPTATM
SCHEMBL504585 0.79 HPGD (0.36) HPGDHSD17B10ALDH1A1NPSR1SMN1; SMN2
SCHEMBL787343 0.77
SCHEMBL19198377 0.76 KMT2A (0.51) SMN1; SMN2ATMKMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109152363-B Molecules having pesticidal utility, and intermediates, compositions and methods related to these molecules 美国陶氏益农公司 2021-10-15 CN disclosed
EP-3407716-B9 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2021-07-14 EP disclosed
EP-3407716-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-02-17 EP disclosed
US-10251394-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2019-04-09 US disclosed
US-20170208803-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 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-20170208803-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 HPGD 1163/4885HSD17B10 2775/4885ALDH1A1 448/4885
US-10251394-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MSMO1 HPGD 1163/4885HSD17B10 2775/4885ALDH1A1 448/4885

“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.