SCHEMBL6371053

SCHEMBL6371053

CC(C)(C)c1cc(C(=O)O)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 15/20 0.57
DAO P14920 1/20 0.57
HCAR3 P49019 3/20 0.52
CYTH3 O43739 1/20 0.47
BTK Q06187 1/20 0.47
EPN1 Q9Y6I3 1/20 0.47
GPR39 O43194 1/20 0.47

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
SCHEMBL5600122 0.86 HCAR2 (0.55) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL28860793 0.85 HCAR2 (0.53) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL15472487 0.84 MEN1 (0.47) HCAR2DAOGPR39
SCHEMBL11215462 0.82 KMT2A (0.46) HCAR2DAOGPR39
SCHEMBL11220340 0.82 SMN1; SMN2 (0.43) HCAR2DAOGPR39
SCHEMBL4619669 0.82 HCAR2 (0.54) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL5599995 0.82 HCAR2 (0.51) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL5599596 0.80 HCAR2 (0.53) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL2360520 0.80 HCAR2 (0.52) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL11215060 0.79 SMN1; SMN2 (0.50) GPR39

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638626-A Hydroxamic acid small molecule compound with pyrazole as parent nucleus, application and preparation method thereof 中国人民解放军海军特色医学中心 2025-03-18 CN disclosed
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 US disclosed
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 EP disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
US-6967204-B2 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC (US) 2005-11-22 US disclosed
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC 2005-03-31 US disclosed
EP-1444009-A1 TREATMENT OF INSULIN RESISTANCE SYNDROME AND TYPE 2 DIABETES WITH PDE9 INHIBITORS Pfizer Products Inc. (US) 2004-08-11 EP disclosed
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors FRYBURG DAVID A (US) 2004-02-05 US disclosed
WO-2003037432-A1 TREATMENT OF INSULIN RESISTANCE SYNDROME AND TYPE 2 DIABETES WITH PDE9 INHIBITORS PFIZER PRODUCTS INC. (US) 2003-05-08 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 (7 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HCAR2 4190/4885DAO 3097/4885HCAR3 4326/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HCAR2 4598/4885DAO 1613/4885HCAR3 4329/4885
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC5 HCAR2 2722/4885DAO 4079/4885HCAR3 2002/4885
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 HCAR2 2722/4885DAO 4079/4885HCAR3 2002/4885
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A HCAR2 1033/4885DAO 1957/4885HCAR3 2113/4885
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A HCAR2 1033/4885DAO 1957/4885HCAR3 2113/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HCAR2 3902/4885DAO 2842/4885HCAR3 4006/4885

“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.