SCHEMBL21530554

SCHEMBL21530554

O=C1CS(=O)(=O)N(c2cnc3ccccc3c2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.45
DHFR P00374 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HDAC1 Q13547 1/20 0.38
AKR1C3 P42330 1/20 0.38
EGLN1 Q9GZT9 6/20 0.37
CNR2 P34972 1/20 0.35
CYP1A2 P05177 1/20 0.35
MGAM O43451 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PSMD14 O00487 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MMP2 P08253 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
SCHEMBL30197004 1.00 HTR3A (0.45) HTR3ADHFRCYP11B1CYP11B2CHRNB2
SCHEMBL21530563 0.77 HTR3A (0.36) HTR3ADHFRCYP11B1CYP11B2CHRNB2
SCHEMBL30197511 0.77 HTR3A (0.36) HTR3ADHFRCYP11B1CYP11B2CHRNB2
SCHEMBL21530566 0.77 HTR3A (0.36) HTR3ADHFRCYP11B1CYP11B2CHRNB2
SCHEMBL21530577 0.77 HTR3A (0.44) HTR3ADHFRCYP11B1CYP11B2CHRNB2
SCHEMBL4967301 0.76 KMT2A (0.44) ALDH1A1POLB
SCHEMBL21530530 0.76 HTR3A (0.40) HTR3ADHFRCYP11B1CYP11B2CHRNB2
SCHEMBL29101219 0.73 HTR3A (0.43) HTR3ADHFRCYP11B1CYP11B2CHRNB2
SCHEMBL21530582 0.73 HTR3A (0.46) HTR3ADHFRCYP11B1CYP11B2CHRNB2
SCHEMBL15836590 0.69 TP53 (0.55) HTR3ADHFRCYP11B1CYP11B2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476606-B Benzosultams and analogs and their use as fungicides 拜耳作物科学股份公司 2023-01-20 CN disclosed
EP-3478659-B1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2022-08-17 EP disclosed
US-11219214-B2 Benzosultams and analogues and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2022-01-11 US disclosed
US-20200323211-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-15 US disclosed
US-10736321-B2 Benzosultams and analogues and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-08-11 US disclosed
US-20190335753-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-11-07 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 (4 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-20200323211-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES GABBR1, DPM1, CYP51A1 HTR3A 3926/4885DHFR 587/4885CYP11B1 205/4885
US-10736321-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 HTR3A 3926/4885DHFR 587/4885CYP11B1 205/4885
US-20190335753-A1 BENZOSULTAMS AND ANALOGUES AND THEIR USE AS FUNGICIDES GABBR1, DPM1, CYP51A1 HTR3A 3926/4885DHFR 587/4885CYP11B1 205/4885
US-11219214-B2 Benzosultams and analogues and their use as fungicides GABBR1, DPM1, CYP51A1 HTR3A 3926/4885DHFR 587/4885CYP11B1 205/4885

“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.