Sugi Predict

Sugi Predict / Compounds / SCHEMBL330754

SCHEMBL330754

SCHEMBL330754

Cc1cc(C)c(S([O])(=O)=O)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ MMP1 P03956 1/20 0.54
▸ MMP2 P08253 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP8 P22894 1/20 0.54
▸ MMP13 P45452 1/20 0.54
▸ RAPGEF4 Q8WZA2 7/20 0.52
▸ F2 P00734 3/20 0.48
▸ PRSS1 P07477 3/20 0.48
▸ PRSS2 P07478 3/20 0.48
▸ PRSS3 P35030 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ EDNRA P25101 2/20 0.43
▸ GAA P10253 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ NR3C1 P04150 1/20 0.42

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
SCHEMBL21117641 0.80 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL2047218 0.80 RAPGEF4 (0.67) CA1CA2MMP1MMP2MMP9
SCHEMBL14472966 0.79 CA1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL2678329 0.79 CA1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL8271353 0.78 CA1 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL6911996 0.77 RAPGEF4 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL5075060 0.77 MEN1 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL10846507 0.76 CA1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL16140106 0.76 CA1 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL113366 0.76 CA1 (0.52) CA1CA2MMP1MMP2MMP9

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 1115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110994-A1 A PROCESS FOR THE PREPARATION OF LEDIPASVIR COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGN. OF SOC. ACT (ACT XXI OF 1860) (IN) 2024-05-30 — — WO claimed
CN-116854630-A Methods and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections 吉利德科学公司 2023-10-10 — — CN claimed
EP-3841101-B1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AG (DE) 2023-05-03 — — EP claimed
US-20230057246-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR LAURUS LABS LIMITED (IN) 2023-02-23 — — US claimed
EP-4099991-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR Laurus Labs Limited (IN) 2022-12-14 — — EP claimed
US-20210253573-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AKTIENGESELLSCHAFT (DE) 2021-08-19 — — US claimed
WO-2021156811-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR LAURUS LABS LIMITED (IN) 2021-08-12 — — WO claimed
EP-3841101-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE Bayer Aktiengesellschaft (DE) 2021-06-30 — — EP claimed
EP-3752496-A1 METHODS AND INTERMEDIATES FOR PREPARING A THERAPEUTIC COMPOUND USEFUL IN THE TREATMENT OF RETROVIRIDAE VIRAL INFECTION GILEAD SCIENCES, INC. (US) 2020-12-23 — — EP claimed
CN-112055712-A Processes and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections 吉利德科学公司 2020-12-08 — — CN claimed
EP-0446913-B1 Process for the preparation of chlorothiazole derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-06-04 — — EP claimed
US-5547952-A TREATMENT OF CATARACTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-08-20 — — US claimed
EP-0447171-B1 Polysulfate of cyclodextrin derivative and process for preparing the same TANABE SEIYAKU CO (JP) 1994-11-02 — — EP claimed
EP-0415887-B1 3-Phenyl-benzofuran-3-ones CIBA GEIGY AG (CH) 1994-10-05 — — EP claimed
US-5248675-A Viricides for HIV TANABE SEIYAKU CO., LTD. 1993-09-28 — — US claimed
US-5180833-A PROCESS FOR THE PREPARATION OF CHLOROTHIAZOLE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-19 — — US claimed
EP-0254158-B1 PYRIMIDIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1992-01-29 — — EP claimed
EP-0447171-A2 Polysulfate of cyclodextrin derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1991-09-18 — — EP claimed
EP-0415887-A2 3-Phenyl-benzofuran-3-ones CIBA-GEIGY AG (CH) 1991-03-06 — — EP claimed
US-4680310-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1987-07-14 — — US 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 (2 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-20230057246-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR CYP3A4, CYP4A11, CYP3A43 CA1 2856/4885CA2 3326/4885MMP1 1778/4885
US-20210253573-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE CYP1B1, CYP4B1, CYP1A1 CA1 4881/4885CA2 4874/4885MMP1 4343/4885

“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.