SCHEMBL168185

SCHEMBL168185

CCC(NS(=O)(=O)CC)(C(N)=O)C(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
NR3C2 P08235 1/20 0.42
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL173485 0.89 KMT2A (0.44) MAPTKMT2ANR3C2CYP2C19HIF1A
SCHEMBL9998970 0.82 MAPT (0.38) MAPTKMT2ANR3C2CYP2C19HIF1A
SCHEMBL9998615 0.71 MAPT (0.38) MAPTKMT2ANR3C2CYP2C19HIF1A
SCHEMBL27615947 0.69 MAPT (0.47) MAPTKMT2ACYP2C19HIF1ALMNA
SCHEMBL5995232 0.69 MAPT (0.43) MAPTKMT2ANR3C2CYP2C19HIF1A
Phenylethylmalonamide SCHEMBL29755357 0.68 MAPT (0.53) MAPTKMT2ACYP2C19HIF1ALMNA
SCHEMBL2030597 0.68 MAPT (0.59) MAPTKMT2ACYP2C19HIF1ALMNA
SCHEMBL7348556 0.67 KMT2A (0.44) MAPTKMT2ANR3C2CYP2C19HIF1A
Phenylethylmalonamide - SCHEMBL7828223 0.66 KMT2A (0.52) MAPTKMT2ACYP2C19HIF1ALMNA
SCHEMBL5674843 0.66 MAPT (0.52) MAPTKMT2ANR3C2CYP2C19HIF1A

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-20240090503-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC CORPORATION 2024-03-21 US disclosed
US-20230165251-A1 SUBSTITUTED TOLYL FUNGICIDES AND THEIR MIXTURES FMC CORPORATION 2023-06-01 US disclosed
US-20230148599-A1 FUNGICIDAL MIXTURES CONTAINING PYRAZOLE DERIVATIVES FMC CORPORATION 2023-05-18 US disclosed
EP-4117432-A2 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES AND THEIR MIXTURES FMC CORPORATION (US) 2023-01-18 EP disclosed
WO-2021183707-A2 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES AND THEIR MIXTURES FMC CORPORATION (US) 2021-09-16 WO disclosed
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US disclosed
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 US disclosed
EP-2611296-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US disclosed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 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 (5 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-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 MAPT 3296/4885KMT2A 3900/4885NR3C2 892/4885
US-20230148599-A1 FUNGICIDAL MIXTURES CONTAINING PYRAZOLE DERIVATIVES CYP1B1, CYP4B1, TH MAPT 134/4885KMT2A 4184/4885NR3C2 1090/4885
US-20240090503-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES NOX1, TH, NOX3 MAPT 154/4885KMT2A 3921/4885NR3C2 486/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 MAPT 3296/4885KMT2A 3900/4885NR3C2 892/4885
US-20230165251-A1 SUBSTITUTED TOLYL FUNGICIDES AND THEIR MIXTURES NAT1, TH, Q6ZSR9 MAPT 2010/4885KMT2A 3443/4885NR3C2 1428/4885

“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.