SCHEMBL2802412

SCHEMBL2802412

[CH2]CCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
STING1 Q86WV6 1/20 0.35
DGAT1 O75907 1/20 0.34
CYP2D6 P10635 1/20 0.34
EPHX2 P34913 1/20 0.34
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CTSK P43235 2/20 0.31
MLYCD O95822 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
PLA2G10 O15496 1/20 0.30
PLA2G5 P39877 1/20 0.30

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
SCHEMBL3558406 0.86 EPHX2 (0.39) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL4774409 0.85 HDAC3 (0.33) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL4741052 0.84 EPHX2 (0.41) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL644646 0.84 TSHR (0.45) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL4743537 0.82 EPHX2 (0.43) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL4739770 0.82 EPHX2 (0.43) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL4739473 0.82 EPHX2 (0.43) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL5069214 0.79 ALDH1A1 (0.33) TSHRTDP1
SCHEMBL297179 0.79
SCHEMBL134923 0.79 EPHX2 (0.46) HDAC6HDAC1HDAC2HDAC3HDAC8

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 400 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents SYNGENTA CROP PROTECTION AG (CH) 2022-03-15 US claimed
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP claimed
US-20210087151-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2021-03-25 US claimed
CN-112218860-A Substituted phenylthiouracils, their salts and their use as herbicides 先正达农作物保护股份公司 2021-01-12 CN claimed
EP-3728235-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS Syngenta Crop Protection AG (CH) 2020-10-28 EP claimed
CN-110237071-A Pharmaceutical preparation and its application 武汉朗来科技发展有限公司 2019-09-17 CN claimed
CN-109803657-A Pharmaceutical composition 武汉朗来科技发展有限公司 2019-05-24 CN claimed
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-25 US claimed
CN-107531635-A Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-yl sulfonamides or salts thereof and their use for enhancing stress tolerance in plants 拜耳作物科学股份公司 2018-01-02 CN claimed
EP-3256448-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2017-12-20 EP claimed
EP-0463989-A1 N-oxyimidic acid derivatives SANDOZ LTD. (CH) 1992-01-02 EP claimed
WO-1991000854-A1 N,N'-DICARBOXYMETHYL, N,N'-DIAMINOCARBONYLMETHYL-DIAMINOALKANE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-01-24 WO claimed
EP-0408384-A1 N,N'-dicarboxymethyl, N,N'-dicarbamoylmethyl diaminoalkane derivatives and their use in pharmaceutical compositions. BTG INTERNATIONAL LIMITED (GB) 1991-01-16 EP claimed
EP-0197752-B1 PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-09-12 EP claimed
US-4902714-A N,N'-DIPROPARGYLOXYCARBONYLMETHYL-N,N'-DIAMINOCARBONYLMETHYL -1,2-DIAMINOPROPANE NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-02-20 US claimed
US-4755619-A Pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-07-05 US claimed
EP-0197752-A2 Pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-10-15 EP claimed
EP-0055562-B1 CEPHALOSPORIN DERIVATIVES ICI PHARMA (FR) 1986-02-12 EP claimed
EP-0082648-A2 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-29 EP claimed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents UNG, TYMP, TYMS HDAC6 3355/4885HDAC1 3121/4885HDAC2 3754/4885
US-20210087151-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS HDAC6 3355/4885HDAC1 3121/4885HDAC2 3754/4885
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants CBR3, CBR1, CBS HDAC6 3083/4885HDAC1 4037/4885HDAC2 3040/4885

“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.