SCHEMBL1725495

SCHEMBL1725495

COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 13/20 1.00
PKLR P30613 4/20 1.00
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
HTT P42858 2/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.57

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
SCHEMBL19871300 1.00 PKM (1.00) PKMPKLRNPC1RAB9AHTT
SCHEMBL29945828 1.00 PKM (1.00) PKMPKLRNPC1RAB9AHTT
SCHEMBL17808925 1.00 PKM (1.00) PKMPKLRNPC1RAB9AHTT
SCHEMBL19858525 0.88 PKM (0.77) PKMPKLRNPC1RAB9AHTT
SCHEMBL20457189 0.86 PKM (0.75) PKMPKLRNPC1RAB9A
SCHEMBL31315853 0.84 PKM (1.00) PKMPKLRNPC1RAB9AHTT
SCHEMBL1722721 0.84 PKM (1.00) PKMPKLRNPC1RAB9AHTT
SCHEMBL23598057 0.84 PKM (0.73) PKMPKLRNPC1RAB9AHTT
SCHEMBL20456955 0.84 PKM (0.73) PKMPKLRHTTALDH1A1
SCHEMBL19871299 0.84 PKM (0.73) PKMPKLRHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12465780-B2 Adjusting tumor treating fields simulation and treatment using molecular imaging NOVOCURE GMBH (CH) 2025-11-11 US claimed
EP-4387710-A1 ADJUSTING TUMOR TREATING FIELDS SIMULATION AND TREATMENT USING MOLECULAR IMAGING Novocure GmbH (CH) 2024-06-26 EP claimed
CN-118251256-A Modeling and treatment for modulating tumor electric field therapy using molecular imaging 诺沃库勒有限责任公司 2024-06-25 CN claimed
WO-2023084340-A1 ADJUSTING TUMOR TREATING FIELDS SIMULATION AND TREATMENT USING MOLECULAR IMAGING NOVOCURE GMBH (CH) 2023-05-19 WO claimed
US-20230149728-A1 ADJUSTING TUMOR TREATING FIELDS SIMULATION AND TREATMENT USING MOLECULAR IMAGING NOVOCURE GMBH (CH) 2023-05-18 US claimed
CN-115243720-A Method for normalizing abnormal glycolytic metabolism in cancer cells 利兰·斯坦福青年大学托管委员会 2022-10-25 CN claimed
US-12465780-B2 Adjusting tumor treating fields simulation and treatment using molecular imaging NOVOCURE GMBH (CH) 2025-11-11 US disclosed
EP-4387710-A1 ADJUSTING TUMOR TREATING FIELDS SIMULATION AND TREATMENT USING MOLECULAR IMAGING Novocure GmbH (CH) 2024-06-26 EP disclosed
CN-118251256-A Modeling and treatment for modulating tumor electric field therapy using molecular imaging 诺沃库勒有限责任公司 2024-06-25 CN disclosed
WO-2023084340-A1 ADJUSTING TUMOR TREATING FIELDS SIMULATION AND TREATMENT USING MOLECULAR IMAGING NOVOCURE GMBH (CH) 2023-05-19 WO disclosed
US-20230149728-A1 ADJUSTING TUMOR TREATING FIELDS SIMULATION AND TREATMENT USING MOLECULAR IMAGING NOVOCURE GMBH (CH) 2023-05-18 US disclosed
EP-4081257-A1 METHODS OF NORMALIZING ABERRANT GLYCOLYTIC METABOLISM IN CANCER CELLS The Board of Trustees of the Leland Stanford Junior University (US) 2022-11-02 EP disclosed
CN-115243720-A Method for normalizing abnormal glycolytic metabolism in cancer cells 利兰·斯坦福青年大学托管委员会 2022-10-25 CN disclosed
US-20140148444-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-05-29 US disclosed
EP-2704719-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA Agios Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed
WO-2012151450-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
US-20120245141-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2012-09-27 US disclosed
US-20110195958-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE US Dept. of Health and Human Services (US) 2011-08-11 US disclosed
EP-2344453-A2 ACTIVATORS OF HUMAN PYRUVATE KINASE The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2011-07-20 EP disclosed
WO-2010042867-A2 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-04-15 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-20140148444-A1 METHODS OF USING PYRUVATE KINASE ACTIVATORS PCK1, PDK2, PCK2 PKM 14/4885PKLR 26/4885NPC1 3312/4885
US-20110195958-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 5/4885PKLR 7/4885NPC1 4729/4885
US-20120245141-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK4 PKM 4/4885PKLR 7/4885NPC1 4734/4885

“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.