SCHEMBL1503891

SCHEMBL1503891

COC(=O)C(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
DGAT1 O75907 2/20 0.39
SRC P12931 1/20 0.38
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ELANE P08246 1/20 0.35
MEN1 O00255 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
KMT2A Q03164 1/20 0.35
ABL1 P00519 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.33
SMYD2 Q9NRG4 1/20 0.33

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
SCHEMBL1504056 0.87 CYP2C9 (0.40) PRSS1CTSGCTRB1CMA1DGAT1
SCHEMBL18748476 0.85 KCNN4 (0.39) KCNN4PRSS1CTSGCTRB1CMA1
SCHEMBL23295636 0.83 PRSS1 (0.35) PRSS1CTSGCTRB1CMA1CYP3A4
SCHEMBL1127293 0.83 MAPT (0.40) PRSS1CTSGCTRB1CMA1DGAT1
SCHEMBL31595537 0.83 PPARA (0.44) KCNN4CYP3A4HTTSMN1; SMN2TSHR
SCHEMBL1691100 0.81 CYP3A4 (0.35) PRSS1CTSGCTRB1CMA1DGAT1
SCHEMBL31033300 0.80 MMP1 (0.38) KCNN4CTRB1SMN1; SMN2MAPTALDH1A1
SCHEMBL20552888 0.80 MEN1 (0.41) KCNN4CTRB1SMN1; SMN2MEN1KMT2A
SCHEMBL29235612 0.79 POLB (0.36) KCNN4PRSS1CTSGCTRB1CMA1
SCHEMBL7781357 0.78 POLB (0.39) CYP3A4HTTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4649081-A1 SULFONYLVINYL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-11-19 EP disclosed
EP-3873467-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-08-28 EP disclosed
WO-2024149819-A1 SULFONYLVINYL COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-07-18 WO disclosed
EP-4392424-A1 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2024-07-03 EP disclosed
US-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME LLC (US) 2024-04-30 US disclosed
WO-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
EP-3644991-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
WO-2023025832-A1 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2023-03-02 WO disclosed
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-24 US disclosed
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-12-23 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 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 (8 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-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM1 KCNN4 183/4885PRSS1 3767/4885CTSG 3626/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 KCNN4 1153/4885PRSS1 166/4885CTSG 4073/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R KCNN4 1468/4885PRSS1 412/4885CTSG 4469/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R KCNN4 1468/4885PRSS1 412/4885CTSG 4469/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R KCNN4 1468/4885PRSS1 412/4885CTSG 4469/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R KCNN4 1468/4885PRSS1 412/4885CTSG 4469/4885
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 KCNN4 260/4885PRSS1 4054/4885CTSG 4166/4885
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM1 KCNN4 183/4885PRSS1 3767/4885CTSG 3626/4885

“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.