SCHEMBL21142972

SCHEMBL21142972

COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1C(O)[C@@H](O)CNS(=O)(=O)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.52
MAP2K2 P36507 8/20 0.52
CHEK1 O14757 1/20 0.52
MAPK10 P53779 1/20 0.52
PRKAG1 P54619 1/20 0.52
ADCK1 Q86TW2 1/20 0.52
PRKAG2 Q9UGJ0 1/20 0.52
CA2 P00918 3/20 0.40
BRAF P15056 1/20 0.38
MAPK1 P28482 1/20 0.38
MAP2K5 Q13163 1/20 0.38
PIM1 P11309 1/20 0.36
CAMK2B Q13554 1/20 0.36

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
SCHEMBL15111098 1.00 MAP2K1 (0.52) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL466209 1.00 MAP2K1 (0.52) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL15537286 0.91 MAP2K1 (0.53) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL5025825 0.91 MAP2K1 (0.45) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL5023528 0.91 MAP2K1 (0.54) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL1527813 0.88 MAP2K1 (0.42) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL1527738 0.83 MAP2K1 (0.45) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL28704528 0.83 MAP2K1 (0.51) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL23037463 0.81 MAP2K1 (0.61) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL685422 0.80 MAP2K1 (0.61) MAP2K1MAP2K2CHEK1MAPK10PRKAG1

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
US-12551475-B2 Methods and compositions for treating RNA viral infections MODEL MEDICINES, INC. (US) 2026-02-17 US disclosed
EP-4667008-A2 METHODS AND COMPOSITIONS FOR TREATING RNA VIRAL INFECTIONS Model Medicines, Inc. (US) 2025-12-24 EP disclosed
US-20250025454-A1 USE OF PIPENDOXIFENE TO TREAT SARS-COV-2 INFECTION MODEL MEDICINES INC (US) 2025-01-23 US disclosed
US-20240082228-A1 SARS-COV-2 THERAPEUTICS MODEL MEDICINES INC (US) 2024-03-14 US disclosed
EP-4284370-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2023-12-06 EP disclosed
US-20230346792-A1 COMPOSITIONS AND METHODS FOR TREATING LUNG INFLAMMATION HOTH THERAPEUTICS, INC. 2023-11-02 US disclosed
US-20230248712-A1 METHODS AND COMPOSITIONS FOR TREATING RNA VIRAL INFECTIONS MODEL MEDICINES, INC. 2023-08-10 US disclosed
US-20190216779-A1 USE OF NEUROKININ-1 ANTAGONISTS TO TREAT A VARIETY OF PRURITIC CONDITIONS MENLO THERAPEUTICS INC. (US) 2019-07-18 US 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 (4 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-12551475-B2 Methods and compositions for treating RNA viral infections SARS1, EIF2AK2, SNRPE MAP2K1 3589/4885MAP2K2 4129/4885CHEK1 1883/4885
US-20250025454-A1 USE OF PIPENDOXIFENE TO TREAT SARS-COV-2 INFECTION EIF2AK2, ACE2, SARS1 MAP2K1 4858/4885MAP2K2 4818/4885CHEK1 2744/4885
US-20190216779-A1 USE OF NEUROKININ-1 ANTAGONISTS TO TREAT A VARIETY OF PRURITIC CONDITIONS BDKRB2, BDKRB1, PBK MAP2K1 345/4885MAP2K2 572/4885CHEK1 340/4885
US-20230346792-A1 COMPOSITIONS AND METHODS FOR TREATING LUNG INFLAMMATION ACE2, TMPRSS2, VIPR1 MAP2K1 3821/4885MAP2K2 3358/4885CHEK1 1048/4885

“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.