SCHEMBL168183

SCHEMBL168183

CCN(C(=O)C(NS(=O)(=O)CC)C(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
MMP13 P45452 2/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
ATM Q13315 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL173483 0.89 ALDH1A1 (0.49) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL3223067 0.80 NR3C1 (0.48) ALDH1A1GLATSHRKDM4ETP53
SCHEMBL9998969 0.80 ESR1 (0.43) TSHRMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL8968185 0.76 ALDH1A1 (0.46) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL18765958 0.75 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL6900868 0.74 ALDH1A1 (0.51) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL8416662 0.74 CTSK (0.46) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL7497334 0.72 ALDH1A1 (0.61) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL4055696 0.72 ALDH1A1 (0.61) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL11618038 0.72 ALDH1A1 (0.61) ALDH1A1GLATSHRMEN1KMT2A

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 ALDH1A1 1167/4885GLA 4218/4885TSHR 2337/4885
US-20230148599-A1 FUNGICIDAL MIXTURES CONTAINING PYRAZOLE DERIVATIVES CYP1B1, CYP4B1, TH ALDH1A1 1288/4885GLA 3735/4885TSHR 1588/4885
US-20240090503-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES NOX1, TH, NOX3 ALDH1A1 702/4885GLA 4411/4885TSHR 3507/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 ALDH1A1 1167/4885GLA 4218/4885TSHR 2337/4885
US-20230165251-A1 SUBSTITUTED TOLYL FUNGICIDES AND THEIR MIXTURES NAT1, TH, Q6ZSR9 ALDH1A1 1867/4885GLA 3307/4885TSHR 918/4885

“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.