SCHEMBL1484127

SCHEMBL1484127

CC(C)(C)C=C(Oc1ccccc1)S(=O)(=O)C(=CC(C)(C)C)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ ATM Q13315 2/20 0.40
▸ ELANE P08246 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 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
SCHEMBL1396433 0.81 GRIK1 (0.38) L3MBTL1ATMELANESMN1; SMN2CYP1A2
SCHEMBL20853873 0.71 L3MBTL1 (0.44) L3MBTL1ATMELANEMAPTTDP1
SCHEMBL104971 0.70 TDP1 (0.47) L3MBTL1ATMELANEMAPTTDP1
SCHEMBL1881104 0.67 MAOB (0.49) L3MBTL1ATMELANEMAPTTDP1
SCHEMBL9407173 0.66 TDP1 (0.42) L3MBTL1ATMELANEMAPTTDP1
SCHEMBL10649041 0.66 LMNA (0.41) L3MBTL1ELANEMAPTTDP1SMN1; SMN2
SCHEMBL2342588 0.65 ELANE (0.72) L3MBTL1ATMELANETDP1
Ammonia Solution, Strong SCHEMBL11257764 0.63 ELANE (0.70) L3MBTL1ATMELANETDP1
SCHEMBL7940288 0.63 ELANE (0.55) L3MBTL1ATMELANEMAPTTDP1
SCHEMBL833149 0.63 ELANE (0.55) L3MBTL1ATMELANEMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562069-B2 Selective caspase inhibitors and uses thereof NEW WORLD LABORATORIES INC. (CA) 2017-02-07 — — US disclosed
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2015-01-08 — — US disclosed
US-8791235-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2014-07-29 — — US disclosed
US-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof GENESIS TECHNOLOGIES LIMITED (BB) 2011-03-31 — — 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 (2 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-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof CASP3, CASP1, HTRA2 L3MBTL1 2759/4885ATM 1530/4885ELANE 138/4885
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 L3MBTL1 2759/4885ATM 1530/4885ELANE 138/4885

“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.

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