SCHEMBL10128514

SCHEMBL10128514

CCOP(=O)(O)C(C)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
PPARD Q03181 2/20 0.41
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM4 Q14833 1/20 0.38
ACHE P22303 1/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
HMGCR P04035 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL10128548 0.82 PPARD (0.39) TSHRPPARDTP53TDP1GRM4
SCHEMBL9115357 0.80 TSHR (0.46) TSHRPPARDTP53TDP1GRM4
SCHEMBL3502263 0.79 TSHR (0.40) TSHRPPARDTP53TDP1ACHE
SCHEMBL11737002 0.78 TSHR (0.43) TSHRPPARDTP53TDP1GRM4
SCHEMBL10584123 0.78 TDP1 (0.46) TSHRPPARDTP53TDP1GRM4
SCHEMBL26297731 0.77 FDPS (0.32) GRM4PGK1PGK2
SCHEMBL11693393 0.77 TSHR (0.48) TSHRPPARDTP53TDP1ACHE
SCHEMBL4550022 0.76 PPARD (0.38) TSHRPPARDTP53TDP1CA12
SCHEMBL10128271 0.75 TSHR (0.46) TSHRPPARDTP53TDP1ACHE
SCHEMBL6579016 0.74 TSHR (0.40) TSHRPPARDTP53TDP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023001224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TARGETED THERAPY OF RENAL CANCERS SHANGHAI MICURX PHARMACEUTICAL CO., LTD. (CN) 2023-01-26 WO disclosed
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 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 (1 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 TSHR 2541/4885PPARD 3969/4885TP53 4791/4885

“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.