SCHEMBL5835530

SCHEMBL5835530

CCOC(=O)C1=NOC(c2c(S(C)(=O)=O)ccc(C(=O)OC)c2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 7/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
POLB P06746 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 3/20 0.33
MAPT P10636 4/20 0.32
HSD17B10 Q99714 3/20 0.32
TP53 P04637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 2/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
TLR9 Q9NR96 1/20 0.32
IKBKB O14920 1/20 0.32
GLP1R P43220 1/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 4/20 0.31
CYP2C9 P11712 3/20 0.31

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
SCHEMBL5836196 0.87 SMN1; SMN2 (0.33) L3MBTL1MAPTHSD17B10NPSR1NPC1
SCHEMBL5836542 0.76 LMNA (0.33) LMNA
SCHEMBL5835636 0.76 EPAS1 (0.31)
SCHEMBL19810174 0.72 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP3A4CYP2C19POLB
SCHEMBL5996915 0.71 ALDH1A1 (0.51) L3MBTL1ALDH1A1CYP3A4CYP2C19POLB
SCHEMBL5997134 0.69 ALDH1A1 (0.46) L3MBTL1ALDH1A1CYP3A4CYP2C19POLB
SCHEMBL4267446 0.69 HTT (0.34) POLBHTTLMNAMAPTNPSR1
SCHEMBL5994480 0.69 ALDH1A1 (0.48) L3MBTL1ALDH1A1CYP3A4CYP2C19POLB
SCHEMBL21179401 0.68 TSHR (0.46) ALDH1A1HTTLMNAMAPTHSD17B10
SCHEMBL30599579 0.68 L3MBTL1 (0.44) L3MBTL1ALDH1A1CYP3A4CYP2C19POLB

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-7151075-B2 3-(4,5-Dihydroisoxazole-5-yl)benzoylpyrazole BASF AKTIENGESELLSCHAFT (DE) 2006-12-19 US disclosed
US-6645919-B1 Nonphytotoxic to crops BASF AKTIENGESELLSCHAFT (DE) 2003-11-11 US disclosed
US-20030199699-A1 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-23 US disclosed
US-20030100590-A1 3-(4,5-dihydroisoxazol-5-yl)benzoylpyrazole BASF AKTIENGESELLSCHAFT (DE) 2003-05-29 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-20030199699-A1 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides CBR3, HDHD5, CBR1 L3MBTL1 1367/4885ALDH1A1 403/4885CYP3A4 600/4885
US-20030100590-A1 3-(4,5-dihydroisoxazol-5-yl)benzoylpyrazole CBR3, CBR1, DHX35 L3MBTL1 639/4885ALDH1A1 516/4885CYP3A4 626/4885

“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.