SCHEMBL458667

SCHEMBL458667

CC(C)c1ccc(S([O])(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
TYR P14679 2/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 2/20 0.41
POLB P06746 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL11850699 0.82 LMNA (0.70) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL7866855 0.80 ENPP2 (0.52) ALDH1A1MAPTLMNAKDM4EGAA
Zinc Ion SCHEMBL1589972 0.78 ALDH1A1 (0.50) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL6038801 0.78 ALDH1A1 (0.50) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL67964 0.78 ALDH1A1 (0.50) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL24810807 0.78 ALDH1A1 (0.50) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL29618 0.78 ALDH1A1 (0.56) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL84516 0.78 CA2 (0.68) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL1589913 0.78 ALDH1A1 (0.50) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL5153019 0.78 ALDH1A1 (0.50) ALDH1A1MAPTLMNAKDM4EGAA

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 805 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
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
WO-2020039025-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) 2020-02-27 WO claimed
US-10266506-B2 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PIRAMAL IMAGING SA (CH) 2019-04-23 US claimed
US-20180022719-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PIRAMAL IMAGING SA (CH) 2018-01-25 US claimed
CN-101835728-A Compounds for imaging, diagnosing and/or treating central nervous system diseases or tumors BAYER SCHERING PHARMA AG 2010-09-15 CN claimed
EP-2217549-A2 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING, AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-08-18 EP claimed
WO-2010015387-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-11 WO claimed
WO-2010015340-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-11 WO claimed
US-20090191129-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS Lantheus Biosciences Ltd. (GB) 2009-07-30 US claimed
US-20090130020-A1 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING F-18 RADIO-LABELED AMINO-ALCOHOLS BAYER SCHERING PHARMA AG (DE) 2009-05-21 US claimed
WO-2009052970-A2 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING, AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-04-30 WO claimed
EP-2053033-A1 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors Bayer Schering Pharma AG (DE) 2009-04-29 EP claimed
WO-2009033584-A2 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING F-18 RADIO-LABELED AMINO-ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 WO claimed
EP-2036578-A1 Diagnostic agents for positron emission imaging using F-18 radio labeled amino-alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 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 (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-20180022719-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PMP22, MEN1, VHL ALDH1A1 2741/4885MAPT 80/4885LMNA 1871/4885
US-10266506-B2 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PMP22, MEN1, VHL ALDH1A1 2741/4885MAPT 80/4885LMNA 1871/4885
US-20230057246-A1 NOVEL PROCESSES FOR PREPARATION OF TEZACAFTOR CYP3A4, CYP4A11, CYP3A43 ALDH1A1 553/4885MAPT 1832/4885LMNA 2938/4885
US-20090191129-A1 COMPOUNDS FOR USE IN IMAGING, DIAGNOSING AND/OR TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM OR OF TUMORS PMP22, MEN1, VHL ALDH1A1 2741/4885MAPT 80/4885LMNA 1871/4885
US-20090130020-A1 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING F-18 RADIO-LABELED AMINO-ALCOHOLS ADH1A, ADH5, FABP1 ALDH1A1 67/4885MAPT 832/4885LMNA 2887/4885
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 ALDH1A1 432/4885MAPT 2788/4885LMNA 793/4885

“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.