SCHEMBL168184

SCHEMBL168184

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.40
KCNA5 P22460 3/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.35
CA7 P43166 1/20 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
SCHEMBL173484 0.89 CYP1A2 (0.42) HKDC1KCNA5TRPM8KMT2AMEN1
SCHEMBL28054964 0.73 ALOX5 (0.49) HKDC1TRPM8KMT2AMEN1LMNA
SCHEMBL2830117 0.70 CA14 (0.39) SLC1A3SLC1A2SLC1A1KDM4ECA12
SCHEMBL12305036 0.69 ALDH1A1 (0.50) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL9998967 0.69 SLC1A3 (0.34) KMT2AMEN1SLC1A3SLC1A2SLC1A1
SCHEMBL11050985 0.68 HKDC1 (0.46) HKDC1KMT2AMEN1LMNAHPGD
SCHEMBL16886917 0.67 CYP3A4 (0.53) POLBALDH1A1MAPTCA12CA7
SCHEMBL16886918 0.67 CYP3A4 (0.53) POLBALDH1A1MAPTCA12CA7
SCHEMBL19902141 0.67 CYP3A4 (0.53) POLBALDH1A1MAPTCA12CA7
SCHEMBL14430040 0.67 HKDC1 (0.41) HKDC1KMT2AMEN1LMNANPSR1

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 HKDC1 4227/4885KCNA5 603/4885TRPM8 2867/4885
US-20230148599-A1 FUNGICIDAL MIXTURES CONTAINING PYRAZOLE DERIVATIVES CYP1B1, CYP4B1, TH HKDC1 4080/4885KCNA5 589/4885TRPM8 2402/4885
US-20240090503-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES NOX1, TH, NOX3 HKDC1 4304/4885KCNA5 1765/4885TRPM8 3351/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 HKDC1 4227/4885KCNA5 603/4885TRPM8 2867/4885
US-20230165251-A1 SUBSTITUTED TOLYL FUNGICIDES AND THEIR MIXTURES NAT1, TH, Q6ZSR9 HKDC1 4642/4885KCNA5 266/4885TRPM8 1584/4885

“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.