SCHEMBL2548351

SCHEMBL2548351

Cc1ccc(S(=O)(=O)OCC(O)CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.43
ALDH1A1 P00352 7/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
DHODH Q02127 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 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
SCHEMBL2548348 1.00 STAT3 (0.43) STAT3ALDH1A1CA1CA2CA4
SCHEMBL4621606 1.00 STAT3 (0.43) STAT3ALDH1A1CA1CA2CA4
Acetone SCHEMBL9451549 0.95 STAT3 (0.43) STAT3ALDH1A1CA1CA2CA4
Acetone SCHEMBL8766802 0.95 STAT3 (0.43) STAT3ALDH1A1CA1CA2CA4
Acetone SCHEMBL8568091 0.95 STAT3 (0.43) STAT3ALDH1A1CA1CA2CA4
SCHEMBL19067491 0.94 STAT3 (0.39) STAT3ALDH1A1CA1CA2CA4
SCHEMBL4343843 0.94 CYP2D6 (0.47) STAT3ALDH1A1CA1CA2CA4
SCHEMBL4335282 0.94 CYP2D6 (0.47) STAT3ALDH1A1CA1CA2CA4
SCHEMBL140992 0.91 STAT3 (0.46) STAT3ALDH1A1CA1CA2CA4
SCHEMBL5471045 0.87 STAT3 (0.43) STAT3ALDH1A1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736148-A Production process of ketoconazole 盐城凯利药业有限公司 2024-03-22 CN claimed
EP-0147847-B1 OPTICALLY ACTIVE COMPOUNDS WITH ANTITUSSIVE AND CENTRAL SEDATIVE ACTIVITY, A PROCESS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME DOMPE' FARMACEUTICI S.p.A. (IT) 1990-03-07 EP claimed
EP-0147847-A2 Optically active compounds with antitussive and central sedative activity, a process for the preparation thereof and compositions containing the same DOMPE' FARMACEUTICI S.p.A. (IT) 1985-07-10 EP claimed
JP-5222019-A None JP disclosed
US-12545666-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-10 US disclosed
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2025-10-09 US disclosed
US-20250092062-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2025-03-20 US disclosed
US-20240360111-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2024-10-31 US disclosed
US-12071430-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2024-08-27 US disclosed
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2024-07-11 US disclosed
CN-117736148-A Production process of ketoconazole 盐城凯利药业有限公司 2024-03-22 CN disclosed
US-4408063-A FROM A SULFONYLOXY HALOALCOHOL MERCK & CO., INC. (US) 1983-10-04 US disclosed
EP-0013856-B1 NEW COMPOUNDS ASSOCIATING PEPTIDYL OR AMINOACYL RESIDUES TO LIPOPHILIC GROUPS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID NEW COMPOUNDS ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1983-03-09 EP disclosed
EP-0006615-B1 PROCESS FOR PREPARING EPIHALOHYDRIN ENANTIOMERS MERCK & CO. INC. (US) 1983-03-02 EP disclosed
US-4346042-A Preparation of epihalohydrin enantiomers MERCK & CO., INC. (US) 1982-08-24 US disclosed
US-4335111-A BACTERICIDES AGENCE NATIONAL DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1982-06-15 US disclosed
US-4237250-A Polyurethanes containing aryl sulfonic acid alkyl ester groups BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
EP-0013856-A1 New compounds associating peptidyl or aminoacyl residues to lipophilic groups and pharmaceutical compositions containing said new compounds ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1980-08-06 EP disclosed
EP-0009075-A1 Pyridyloxy-propanol amines and esters thereof, process for preparing the same and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1980-04-02 EP disclosed
EP-0006615-A1 Process for preparing epihalohydrin enantiomers MERCK & CO. INC. (US) 1980-01-09 EP 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 (6 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-20240360111-A1 ITRACONAZOLE ANALOGS AND USE THEREOF CYP3A4, SHH, GLI1 STAT3 565/4885ALDH1A1 428/4885CA1 3810/4885
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 STAT3 1971/4885ALDH1A1 641/4885CA1 4115/4885
US-20250092062-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 STAT3 1971/4885ALDH1A1 641/4885CA1 4115/4885
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 STAT3 1971/4885ALDH1A1 641/4885CA1 4115/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 STAT3 38/4885ALDH1A1 2379/4885CA1 2124/4885
US-12071430-B2 Itraconazole analogs and use thereof CYP3A4, SHH, GLI1 STAT3 565/4885ALDH1A1 428/4885CA1 3810/4885

“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.