Sugi Predict

Sugi Predict / Compounds / SCHEMBL19971983

SCHEMBL19971983

SCHEMBL19971983

CC(O)c1c(O)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ GABRA1 P14867 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ CYP3A4 P08684 3/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ PNMT P11086 1/20 0.36
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ RECQL P46063 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 3/20 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
SCHEMBL29558146 1.00 TSHR (0.48) TSHRALDH1A1GABRA1GABRB2CYP3A4
SCHEMBL10012222 0.86 TSHR (0.52) TSHRALDH1A1GABRA1GABRB2CYP3A4
SCHEMBL23212908 0.86 CYP1A2 (0.41) TSHRALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL28820045 0.86 CYP1A2 (0.41) TSHRALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL2292937 0.86 CYP1A2 (0.41) TSHRALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL7036675 0.84 TSHR (0.50) TSHRALDH1A1GABRA1GABRB2CYP3A4
SCHEMBL789377 0.84 GABRA1 (0.44) TSHRALDH1A1GABRA1GABRB2CYP3A4
SCHEMBL19979060 0.78 ALDH1A1 (0.37) TSHRALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL11302263 0.78 ALDH1A1 (0.46) TSHRALDH1A1GABRA1GABRB2CYP3A4
SCHEMBL19971985 0.77 TSHR (0.52) TSHRALDH1A1CYP3A4CYP1A2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110035992-B Process for preparing 3-substituted 2-vinylphenyl sulfonates 拜耳作物科学股份公司 2022-04-05 — — CN disclosed
CN-111848612-B Compound containing fused heterocyclic structure, preparation method and application thereof, and bactericide 华中师范大学 2021-09-14 — — CN disclosed
CN-111848612-A Compound containing fused heterocyclic structure, preparation method and application thereof, and bactericide 华中师范大学 2020-10-30 — — CN disclosed
EP-3548463-B1 METHOD FOR THE PREPARATION OF 3-SUBSTITUTED 2-2-VINYLPHENYLSULFONATES BAYER CROPSCIENCE AG (DE) 2020-10-14 — — EP disclosed
EP-3548463-B1 METHOD FOR THE PREPARATION OF 3-SUBSTITUTED 2-2-VINYLPHENYLSULFONATES BAYER CROPSCIENCE AG (DE) 2020-10-14 — — EP disclosed
CN-107406374-B Process for preparing 3-chloro-2-vinylphenyl sulfonate 拜耳作物科学股份公司 2020-07-14 — — CN disclosed
US-10647667-B2 Method for preparing 3-substituted 2-vinylphenyl sulfonates BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-05-12 — — US disclosed
US-10647667-B2 Method for preparing 3-substituted 2-vinylphenyl sulfonates BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-05-12 — — US disclosed
US-10618872-B2 Process for preparing 3-chloro-2-vinylphenylsulfonates BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-04-14 — — US disclosed
US-10618872-B2 Process for preparing 3-chloro-2-vinylphenylsulfonates BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-04-14 — — US disclosed
US-20200071267-A1 METHOD FOR PREPARING 3-SUBSTITUTED 2-VINYLPHENYL SULFONATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-03-05 — — US disclosed
US-20200071267-A1 METHOD FOR PREPARING 3-SUBSTITUTED 2-VINYLPHENYL SULFONATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-03-05 — — US disclosed
EP-3548463-A1 METHOD FOR PRODUCING 3-SUBSTITUTED 2-VINYLPHENYLSULFONATES Bayer CropScience Aktiengesellschaft (DE) 2019-10-09 — — EP disclosed
EP-3265439-B1 PROCESS FOR PREPARING 3-CHLORO-2-VINYLPHENYLSULFONATES BAYER CROPSCIENCE AG (DE) 2019-03-27 — — EP disclosed
EP-3265439-B1 PROCESS FOR PREPARING 3-CHLORO-2-VINYLPHENYLSULFONATES BAYER CROPSCIENCE AG (DE) 2019-03-27 — — EP disclosed
WO-2018104105-A1 METHOD FOR PRODUCING 3-SUBSTITUTED 2-VINYLPHENYLSULFONATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-14 — — WO disclosed
US-20180079717-A1 PROCESS FOR PREPARING 3-CHLORO-2-VINYLPHENYLSULFONATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 — — US disclosed
US-20180079717-A1 PROCESS FOR PREPARING 3-CHLORO-2-VINYLPHENYLSULFONATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 — — US disclosed
US-20180079717-A1 PROCESS FOR PREPARING 3-CHLORO-2-VINYLPHENYLSULFONATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 — — 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-20180079717-A1 PROCESS FOR PREPARING 3-CHLORO-2-VINYLPHENYLSULFONATES AGPS, VARS1, VPS4B TSHR 4155/4885ALDH1A1 3434/4885GABRA1 2829/4885
US-10647667-B2 Method for preparing 3-substituted 2-vinylphenyl sulfonates STS, TST, TPST2 TSHR 3562/4885ALDH1A1 2168/4885GABRA1 2010/4885
US-10618872-B2 Process for preparing 3-chloro-2-vinylphenylsulfonates AGPS, VARS1, VPS4B TSHR 4155/4885ALDH1A1 3434/4885GABRA1 2829/4885
US-20200071267-A1 METHOD FOR PREPARING 3-SUBSTITUTED 2-VINYLPHENYL SULFONATES STS, TST, TPST2 TSHR 3562/4885ALDH1A1 2168/4885GABRA1 2010/4885

“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.