SCHEMBL17629290

SCHEMBL17629290

Cc1ccc(S(=O)(=O)O)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.46
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ BRD9 Q9H8M2 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 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
SCHEMBL30047812 1.00 HPGD (0.46) HPGDCYP1A2CYP2C19CYP2C9NPSR1
SCHEMBL29096059 0.83 HSP90AA1 (0.47) HPGDCYP1A2CYP2C19CYP2C9NPSR1
SCHEMBL28421464 0.82 CYP1A2 (0.48) HPGDCYP1A2CYP2C19CYP2C9NPSR1
SCHEMBL4568018 0.81 NLRP3 (0.55) HPGDCYP1A2CYP2C19CYP2C9NPSR1
SCHEMBL2591785 0.80 CYP1A2 (0.43) HPGDCYP1A2CYP2C19CYP2C9NPSR1
SCHEMBL29030128 0.80 KMT2A (0.42) HPGDLMNABRD9POLBSMN1; SMN2
SCHEMBL2031546 0.80 KCNMA1 (0.54) HPGDCYP1A2CYP2C19CYP2C9POLB
SCHEMBL3407965 0.78 HPGD (0.49) HPGDCYP1A2CYP2C19CYP2C9NPSR1
SCHEMBL31021765 0.78 HPGD (0.49) HPGDCYP1A2CYP2C19CYP2C9NPSR1
SCHEMBL1008737 0.78 HPGD (0.49) HPGDCYP1A2CYP2C19CYP2C9NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715892-A Quaternary ammonium cation substituted compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-03-15 — — CN disclosed
EP-3197276-B1 HERBICIDAL PYRIDINO-/PYRIMIDINO-THIAZOLES SYNGENTA PARTICIPATIONS AG (CH) 2023-06-07 — — EP disclosed
US-11470846-B2 Herbicidal pyridino-/pyrimidino-thiazoles SYNGENTA PARTICIPATIONS AG (CH) 2022-10-18 — — US disclosed
CN-107001349-B Herbicidal pyrido/pyrimidothiazoles 先正达参股股份有限公司 2021-07-02 — — CN disclosed
US-20200253208-A1 HERBICIDAL PYRIDINO-/PYRIMIDINO-THIAZOLES SYNGENTA PARTICIPATIONS AG (CH) 2020-08-13 — — US disclosed
US-20170290337-A1 Herbicidal Pyridino-/Pyrimidino-Thiazoles SYNGENTA PARTICIPATIONS AG (CH) 2017-10-12 — — US disclosed
EP-3197276-A1 HERBICIDAL PYRIDINO-/PYRIMIDINO-THIAZOLES Syngenta Participations AG (CH) 2017-08-02 — — EP disclosed
WO-2016046078-A1 HERBICIDAL PYRIDINO-/PYRIMIDINO-THIAZOLES SYNGENTA PARTICIPATIONS AG (CH) 2016-03-31 — — 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 (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-20170290337-A1 Herbicidal Pyridino-/Pyrimidino-Thiazoles PDXK, PLPBP, DDT HPGD 191/4885CYP1A2 136/4885CYP2C19 406/4885
US-11470846-B2 Herbicidal pyridino-/pyrimidino-thiazoles PDXK, PLPBP, DDT HPGD 191/4885CYP1A2 136/4885CYP2C19 406/4885
US-20200253208-A1 HERBICIDAL PYRIDINO-/PYRIMIDINO-THIAZOLES PDXK, PLPBP, DDT HPGD 191/4885CYP1A2 136/4885CYP2C19 406/4885

“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.

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